tetramethylammoniumhydroxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C[N+](C)(C)C.[OH-]
formula: C4H13NO
iupac name: tetramethylazanium hydroxide @en
cas number: 104422-11-9
cas number: 105468-35-7
cas number: 154636-59-6
cas number: 75-59-2
cas number: 129654-61-1
cas number: 78017-87-5
cas number: 93615-68-0
pubchem: 60966
in scheme: Conceptschema Chemische Stoffen
inchikey: WGTYBPLFGIVFAS-UHFFFAOYSA-M
broader: CHEMONTID_0004225
inchi: InChI=1S/C4H12N.H2O/c1-5(2,3)4;/h1-4H3;1H2/q+1;/p-1

Conceptschema Chemische Stoffen
type: ConceptScheme
definition: Een stof is in de scheikunde een vorm van materie die een gelijke chemische samenstelling heeft, een chemisch zuivere stof. Deze wordt gekenmerkt door specifieke, uniforme stofeigenschappen, zoals dichtheid, geleidbaarheid en smeltpunt.
belongs to: codelijst-chemische stof

methylcyclopentaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: GDOPTJXRTPNYNR-UHFFFAOYSA-N
formula: C6H12
pubchem: 7296
inchi: InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
cas number: 5310-57-6
cas number: 96-37-7
in scheme: Conceptschema Chemische Stoffen
notation: C1yccC5a
iupac name: Methylcyclopentane @en
broader: CHEMONTID_0001016
smiles: CC1CCCC1

n-pentadecaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002500
formula: C15H32
inchikey: YCOZIPAWZNQLMR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 12391
notation: NC15a
inchi: InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
iupac name: Pentadecane @en
smiles: CCCCCCCCCCCCCCC
cas number: 629-62-9

neodymium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: [Nd]
notation: Nd
inchikey: QEFYFXOXNSNQGX-UHFFFAOYSA-N
cas number: 7440-00-8
cas number: 42320-27-4
cas number: 110123-51-8
in scheme: Conceptschema Chemische Stoffen
iupac name: NEODYMIUM @en
broader: CHEMONTID_0000429
pubchem: 23934
inchi: InChI=1S/Nd
formula: Nd

2,2',3,5,5',6-hexachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 52663-63-5
inchi: InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene @en
inchikey: UHCLFIWDCYOTOL-UHFFFAOYSA-N
formula: C12H4Cl6
pubchem: 40471
notation: PCB151
broader: CHEMONTID_0003030

2,5-dimethoxy-4-chlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 6358-64-1
smiles: COC1=CC(=C(C=C1N)OC)Cl
iupac name: 4-Chloro-2,5-dimethoxyaniline @en
in scheme: Conceptschema Chemische Stoffen
inchikey: YGUFQYGSBVXPMC-UHFFFAOYSA-N
broader: CHEMONTID_0004111
inchi: InChI=1S/C8H10ClNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3
formula: C8H10ClNO2
pubchem: 22833

cyclohexadecaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001016
notation: cycC16a
smiles: C1CCCCCCCCCCCCCCC1
cas number: 295-65-8
inchikey: JJWIOXUMXIOXQN-UHFFFAOYSA-N
formula: C16H32
inchi: InChI=1S/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2
iupac name: Cyclohexadecane @en
pubchem: 67526
in scheme: Conceptschema Chemische Stoffen

4-fluoramfetamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C9H12FN.ClH/c1-7(11)6-8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H
smiles: CC(CC1=CC=C(C=C1)F)N.Cl
formula: C9H13ClFN
broader: CHEMONTID_0000188
cas number: 459-02-9
cas number: 459-01-8
notation: 4FamfAe
inchikey: GKWYMWZWSCKSMT-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 120675
iupac name: 1-(4-fluorophenyl)propan-2-amine hydrochloride @en

diethylbutylamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CCCCN(CC)CC
in scheme: Conceptschema Chemische Stoffen
notation: DC2yC4yAe
broader: CHEMONTID_0002239
iupac name: N,N-diethylbutan-1-amine @en
cas number: 4444-68-2
inchi: InChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3
pubchem: 20513
inchikey: ORSUTASIQKBEFU-UHFFFAOYSA-N
formula: C8H19N

1,2,3,7,8,9-hexachloordibenzodioxine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
alternative label: 1,2,3,7,8,9-hexachloordibenzo-p-dioxine
alternative label: 1,2,3,7,8,9-hexachloordibenzo-para-dioxine
alternative label: 1,2,3,7,8,9-hexachloordibenzodioxine (hxcdd)
broader: CHEMONTID_0000420
notation: PCDD70
cas number: 19408-74-3
is referenced by: LUC VI 002
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II+ bijlagen
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
pubchem: 29575
inchikey: LGIRBUBHIWTVCK-UHFFFAOYSA-N
iupac name: 1,2,3,7,8,9-hexachlorooxanthrene @en
formula: C12H2Cl6O2
inchi: InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H

cetirizine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 83881-51-0
inchikey: ZKLPARSLTMPFCP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)
broader: CHEMONTID_0000369
pubchem: 2678
formula: C21H25ClN2O3
notation: cetrzne
iupac name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid @en

3-broom-1-chloorpropeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 6433386
in scheme: Conceptschema Chemische Stoffen
notation: 3Br1ClC3e
inchi: InChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2/b3-1+
inchikey: AHUWMUAVZFJTOC-HNQUOIGGSA-N
formula: C3H4BrCl
cas number: 3737-00-6
iupac name: (E)-3-bromo-1-chloroprop-1-ene @en
smiles: C(C=CCl)Br
broader: CHEMONTID_0002863

americium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: Am
cas number: 7440-35-9
cas number: 22541-46-4
smiles: [Am]
iupac name: AMERICIUM @en
inchi: InChI=1S/Am
broader: CHEMONTID_0000430
notation: Am
inchikey: LXQXZNRPTYVCNG-UHFFFAOYSA-N
pubchem: 23966

3-methylacetofenon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 11455
cas number: 585-74-0
notation: 3C1yactfnn
iupac name: 1-(3-methylphenyl)ethanone @en
smiles: CC1=CC(=CC=C1)C(=O)C
inchikey: FSPSELPMWGWDRY-UHFFFAOYSA-N
inchi: InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3
formula: C9H10O
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004298

carboxin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: carbOxn
broader: CHEMONTID_0000285
formula: C12H13NO2S
inchikey: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
cas number: 5234-68-4
inchi: InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
iupac name: 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE @en
smiles: CC1=C(SCCO1)C(=O)NC2=CC=CC=C2
pubchem: 21307

cesium 132
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000425
notation: Cs132
inchi: InChI=1S/Cs/i1-1
iupac name: cesium-132 @en
formula: Cs
cas number: 15758-03-9
smiles: [Cs]
inchikey: TVFDJXOCXUVLDH-BJUDXGSMSA-N
pubchem: 6337088

alfa-isomethylionon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC1=CCCC(C1C=C(C)C(=O)C)(C)C
inchikey: JRJBVWJSTHECJK-LUAWRHEFSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C14H22O
iupac name: (Z)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one @en
pubchem: 5356787
notation: aiC1yionn
broader: CHEMONTID_0001550
cas number: 127-51-5
inchi: InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9-

bde 153
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C12H4Br6O
alternative label: 2,2',4,4',5,5'-hexabroomdifenylether
alternative label: 2,2',4,4',5,5'-hexabroomdifenylether (bde153)
iupac name: 1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene @en
notation: PBDE153
inchi: InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H
cas number: 68631-49-2
in scheme: Conceptschema Chemische Stoffen
inchikey: RZXIRSKYBISPGF-UHFFFAOYSA-N
pubchem: 155166
broader: CHEMONTID_0001845

2,4-dimethylpyridine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CC1=CC(=NC=C1)C
cas number: 108-47-4
inchikey: JYYNAJVZFGKDEQ-UHFFFAOYSA-N
iupac name: 2,4-Dimethylpyridine @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004152
formula: C7H9N
notation: 24DC1yprdne
pubchem: 7936
inchi: InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3

tetrabroombifenol dimethyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C17H16Br4O2
cas number: 37853-61-5
cas number: 108608-62-4
broader: CHEMONTID_0000369
inchikey: XRQKNNNAKHZPSP-UHFFFAOYSA-N
iupac name: 1,3-dibromo-5-[2-(3,5-dibromo-4-methoxyphenyl)propan-2-yl]-2-methoxybenzene @en
inchi: InChI=1S/C17H16Br4O2/c1-17(2,9-5-11(18)15(22-3)12(19)6-9)10-7-13(20)16(23-4)14(21)8-10/h5-8H,1-4H3
notation: TBBPADM
pubchem: 37841
in scheme: Conceptschema Chemische Stoffen

neptunium 237
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: LFNLGNPSGWYGGD-IGMARMGPSA-N
pubchem: 104783
notation: Np237
formula: Np
smiles: [Np]
broader: CHEMONTID_0000430
cas number: 86954-34-9
cas number: 13994-20-2
iupac name: neptunium-237 @en
inchi: InChI=1S/Np/i1+0

metazachloor
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 67129-08-2
formula: C14H16ClN3O
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl
alternative label: metazachlor
broader: CHEMONTID_0000285
iupac name: 2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide @en
inchikey: STEPQTYSZVCJPV-UHFFFAOYSA-N
inchi: InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3
pubchem: 49384
notation: mzCl

desogestrel
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001466
cas number: 54024-22-5
pubchem: 40973
inchi: InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1
smiles: CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CCCCC34
notation: desgsl
iupac name: (8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol @en
inchikey: RPLCPCMSCLEKRS-BPIQYHPVSA-N
formula: C22H30O
in scheme: Conceptschema Chemische Stoffen

2,3,6-trichlooraniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C6H4Cl3N/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,10H2
iupac name: 2,3,6-trichloroaniline @en
cas number: 88963-39-7
pubchem: 184908
broader: CHEMONTID_0000284
formula: C6H4Cl3N
inchikey: ZJMMPUVJZQBMEM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: 236TClAn
smiles: C1=CC(=C(C(=C1Cl)N)Cl)Cl

waterstofcyanide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C#N
notation: HCN
comment: VLAR II Art. 5.20.2.7. 'HCN'
comment: VLAR II bijl. 4.4.2 'cyaanwaterstof'
in scheme: Conceptschema Chemische Stoffen
iupac name: Formonitrile @en
inchi: InChI=1S/CHN/c1-2/h1H
cas number: 74-90-8
cas number: 341972-31-4
cas number: 191234-22-7
broader: CHEMONTID_0000362
alternative label: waterstofcyanide (HCN)
pubchem: 768
is referenced by: LUC III 009
formula: CHN
inchikey: LELOWRISYMNNSU-UHFFFAOYSA-N

2,2',3,4,5,5',6-heptachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 1,2,3,4,5-pentachloro-6-(2,5-dichlorophenyl)benzene @en
formula: C12H3Cl7
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
cas number: 52712-05-7
pubchem: 40500
inchikey: PYZHTHZEHQHHEN-UHFFFAOYSA-N
notation: PCB185
inchi: InChI=1S/C12H3Cl7/c13-4-1-2-6(14)5(3-4)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H

1-naftaleensulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: PSZYNBSKGUBXEH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 6812
smiles: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O
inchi: InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)
cas number: 68412-23-7
cas number: 25155-19-5
cas number: 85-47-2
cas number: 119020-53-0
cas number: 68153-01-5
broader: CHEMONTID_0003600
formula: C10H8O3S
iupac name: naphthalene-1-sulfonic acid @en
notation: 1Nafsfzr

thiazafluron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 25366-23-8
broader: CHEMONTID_0004668
smiles: CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F
notation: thiazfrn
formula: C6H7F3N4OS
inchi: InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)
in scheme: Conceptschema Chemische Stoffen
inchikey: BBJPZPLAZVZTGR-UHFFFAOYSA-N
pubchem: 32921
iupac name: 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea @en

triethylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: TC2yAe
inchikey: ZMANZCXQSJIPKH-UHFFFAOYSA-N
pubchem: 8471
formula: C6H15N
broader: CHEMONTID_0002239
cas number: 121-44-8
cas number: 168277-99-4
cas number: 144514-14-7
cas number: 172227-74-6
inchi: InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
in scheme: Conceptschema Chemische Stoffen
iupac name: N,N-Diethylethanamine @en
smiles: CCN(CC)CC

marbofloxacine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 60651
cas number: 115550-35-1
in scheme: Conceptschema Chemische Stoffen
inchikey: BPFYOAJNDMUVBL-UHFFFAOYSA-N
iupac name: 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid @en
formula: C17H19FN4O4
broader: CHEMONTID_0002552
inchi: InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)

metobromuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: metbmrn
iupac name: 3-(4-Bromophenyl)-1-methoxy-1-methylurea @en
in scheme: Conceptschema Chemische Stoffen
inchikey: WLFDQEVORAMCIM-UHFFFAOYSA-N
formula: C9H11BrN2O2
cas number: 3060-89-7
pubchem: 18290
broader: CHEMONTID_0001935
smiles: CN(C(=O)NC1=CC=C(C=C1)Br)OC
inchi: InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

2,4-dimethyl-3-pentanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
notation: 24DC1yC5on
formula: C7H14O
broader: CHEMONTID_0000118
inchikey: HXVNBWAKAOHACI-UHFFFAOYSA-N
smiles: CC(C)C(=O)C(C)C
cas number: 565-80-0
iupac name: 2,4-Dimethylpentan-3-one @en
pubchem: 11271
in scheme: Conceptschema Chemische Stoffen

2-ethyl-anthraquinon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000151
cas number: 84-51-5
notation: 2C2yatqnn
inchi: InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3
formula: C16H12O2
smiles: CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
iupac name: 2-ethylanthracene-9,10-dione @en
pubchem: 6772
inchikey: SJEBAWHUJDUKQK-UHFFFAOYSA-N

benzyldimethyltetradecylammoniumchloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
alternative label: C12-C16-alkylbenzyldimethylammoniumchloride
alternative label: c12-c16-alkylbenzyldimethylammoniumchloride
pubchem: 8755
inchikey: OCBHHZMJRVXXQK-UHFFFAOYSA-M
cas number: 68424-85-1
cas number: 50641-12-8
cas number: 68391-01-5
cas number: 77465-44-2
cas number: 113497-04-4
cas number: 124548-64-7
cas number: 139-08-2
cas number: 51931-10-3
cas number: 16287-71-1
iupac name: benzyl-dimethyl-tetradecylazanium chloride @en
formula: C23H42ClN
broader: CHEMONTID_0003977
in scheme: Conceptschema Chemische Stoffen
notation: C12C16akbzDC
notation: benzDC1yC14y
smiles: CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
inchi: InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1

ethyleendiaminetetraethaanzuur (edta)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 10058-42-1
cas number: 30485-87-1
cas number: 13440-78-3
cas number: 94108-75-5
cas number: 32757-10-1
cas number: 161122-33-4
cas number: 60-00-4
cas number: 30485-88-2
cas number: 20539-27-9
cas number: 26627-46-3
cas number: 30485-90-6
alternative label: ethyleendiaminetetraethaanzuur (EDTA)
alternative label: ethyleendiaminetetra-azijnzuur
smiles: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
pubchem: 6049
inchikey: KCXVZYZYPLLWCC-UHFFFAOYSA-N
notation: EDTA
iupac name: 2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetic acid @en
formula: C10H16N2O8
broader: CHEMONTID_0002966

dicyclohexyltin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: dicyclohexyltin @en
pubchem: 424215
smiles: C1CCC(CC1)[Sn]C2CCCCC2
inchi: InChI=1S/2C6H11.Sn/c2*1-2-4-6-5-3-1;/h2*1H,2-6H2;
in scheme: Conceptschema Chemische Stoffen
cas number: 7529-52-4
formula: C12H22Sn
inchikey: BRCGUTSVMPKEKH-UHFFFAOYSA-N
broader: CHEMONTID_0001524

diquatdibromide-monohydraat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001764
formula: C12H14Br2N2O
iupac name: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate @en
smiles: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]
cas number: 6385-62-2
in scheme: Conceptschema Chemische Stoffen
inchikey: KLJOSQAQZMLLMB-UHFFFAOYSA-L
notation: DqDBrH2O
pubchem: 115268
inchi: InChI=1S/C12H12N2.2BrH.H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;;/h1-8H,9-10H2;2*1H;1H2/q+2;;;/p-2

fenpropimorf
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: RYAUSSKQMZRMAI-ALOPSCKCSA-N
pubchem: 93365
cas number: 67564-91-4
cas number: 76492-89-2
notation: fenppmf
iupac name: (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine @en
inchi: InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002811
formula: C20H33NO

fluracil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
formula: C4H3FN2O2
cas number: 1004-03-1
cas number: 79108-01-3
cas number: 4921-97-5
cas number: 51-21-8
pubchem: 3385
notation: flurcl
smiles: C1=C(C(=O)NC(=O)N1)F
inchikey: GHASVSINZRGABV-UHFFFAOYSA-N
iupac name: 5-fluoro-1H-pyrimidine-2,4-dione @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001893

propineb
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 25506
smiles: CC(CN=C(S)[S-])N=C(S)[S-].[Zn+2]
inchikey: KKMLIVYBGSAJPM-UHFFFAOYSA-L
notation: propnb
in scheme: Conceptschema Chemische Stoffen
cas number: 12071-83-9
iupac name: zinc [1-(sulfidocarbothioylamino)propan-2-ylamino]methanedithioate @en
formula: C5H8N2S4Zn
inchi: InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2
broader: CHEMONTID_0003997

acibenzolar-S-methyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0002323
alternative label: acibenzolar-s-methyl
cas number: 135158-54-2
inchikey: UELITFHSCLAHKR-UHFFFAOYSA-N
formula: C8H6N2OS2
smiles: CSC(=O)C1=C2C(=CC=C1)N=NS2
pubchem: 86412
in scheme: Conceptschema Chemische Stoffen
iupac name: S-Methyl 1,2,3-benzothiadiazole-7-carbothioate @en
inchi: InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3
notation: acbzlSC1y

cinosulfuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: cinsfrn
formula: C15H19N5O7S
in scheme: Conceptschema Chemische Stoffen
inchikey: WMLPCIHUFDKWJU-UHFFFAOYSA-N
cas number: 94593-91-6
inchi: InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)
iupac name: 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-[2-(2-methoxyethoxy)phenyl]sulfonylurea @en
pubchem: 92420
broader: CHEMONTID_0000031

2,2',3,3',4,4',5,5',6,6'-decachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0003030
inchi: InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
notation: PCB209
cas number: 2051-24-3
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene @en
pubchem: 16318
formula: C12Cl10
inchikey: ONXPZLFXDMAPRO-UHFFFAOYSA-N

tin 125
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: ATJFFYVFTNAWJD-LZFNBGRKSA-N
pubchem: 6336618
smiles: [Sn]
notation: Sn125
cas number: 14683-08-0
iupac name: tin-125 @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Sn/i1+6
broader: CHEMONTID_0000427
formula: Sn

kaliumdimethyldithiocarbamaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0004099
smiles: CN(C)C(=S)[S-].[K+]
notation: KDC1yDtocbmt
cas number: 81990-01-4
cas number: 128-03-0
inchikey: TVPFLPJBESCUKI-UHFFFAOYSA-M
inchi: InChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
iupac name: potassium dimethylaminomethanedithioate @en
pubchem: 31396
in scheme: Conceptschema Chemische Stoffen
formula: C3H6KNS2

methyl 14-methylpentadecanoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: C1y14C1yC15a
inchikey: WAKCWJNDXBPEBP-UHFFFAOYSA-N
pubchem: 21205
cas number: 5129-60-2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3
iupac name: Methyl 14-methylpentadecanoate @en
formula: C17H34O2
smiles: CC(C)CCCCCCCCCCCCC(=O)OC
broader: CHEMONTID_0003417

dibenzo(a,e)pyreen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H
broader: CHEMONTID_0000316
cas number: 192-65-4
pubchem: 9126
notation: DBaeP
in scheme: Conceptschema Chemische Stoffen
inchikey: KGHMWBNEMFNJFZ-UHFFFAOYSA-N
iupac name: hexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-1(22),2,4,6,8,10,12(24),13,15(23),16,18,20-dodecaene @en
formula: C24H14

1,7-dimethylxanthine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CN1C=NC2=C1C(=O)N(C(=O)N2)C
inchikey: QUNWUDVFRNGTCO-UHFFFAOYSA-N
formula: C7H8N4O2
iupac name: 1,7-dimethyl-3H-purine-2,6-dione @en
broader: CHEMONTID_0000247
in scheme: Conceptschema Chemische Stoffen
cas number: 611-59-6
pubchem: 4687
inchi: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
notation: 17DC1yxtne

dimethachloor
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CCl
inchi: InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3
iupac name: 2-Chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide @en
pubchem: 39722
cas number: 55353-08-7
cas number: 50563-36-5
formula: C13H18ClNO2
inchikey: SCCDDNKJYDZXMM-UHFFFAOYSA-N
notation: DmtCl

cis-8,11,14-eicosatrieenzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: (8Z,11Z,14Z)-icosa-8,11,14-trienoic acid @en
inchikey: HOBAELRKJCKHQD-QNEBEIHSSA-N
smiles: CCCCCC=CCC=CCC=CCCCCCCC(=O)O
pubchem: 5280581
broader: CHEMONTID_0002949
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
formula: C20H34O2
notation: c81114C20aTz
cas number: 1783-84-2

technetium 99
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000426
inchikey: GKLVYJBZJHMRIY-OUBTZVSYSA-N
notation: Tc99
iupac name: TECHNETIUM @en
smiles: [Tc]
cas number: 14133-76-7
formula: Tc
inchi: InChI=1S/Tc/i1+1
pubchem: 26476
in scheme: Conceptschema Chemische Stoffen

spiroxamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C18H35NO2
iupac name: N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-2-yl)methyl]-N-ethylpropan-1-amine @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004472
inchi: InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
smiles: CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C
cas number: 118134-30-8
pubchem: 86160
notation: spirxmne
inchikey: PUYXTUJWRLOUCW-UHFFFAOYSA-N

ethylcyclopentaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1640-89-7
smiles: CCC1CCCC1
inchi: InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3
notation: C2yccC5a
inchikey: IFTRQJLVEBNKJK-UHFFFAOYSA-N
iupac name: Ethylcyclopentane @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001016
pubchem: 15431
formula: C7H14

2,2',3,4,4',5',6-heptachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: KQBFUDNJKCZEDQ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 40476
iupac name: 1,2,3,5-tetrachloro-4-(2,4,5-trichlorophenyl)benzene @en
notation: PCB183
broader: CHEMONTID_0003030
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-8(16)3-9(17)11(18)12(10)19/h1-3H
cas number: 52663-69-1

tetrahydroftaalimide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/t5-,6+
inchikey: CIFFBTOJCKSRJY-OLQVQODUSA-N
in scheme: Conceptschema Chemische Stoffen
notation: T4Hflmde
formula: C8H9NO2
smiles: C1C=CCC2C1C(=O)NC2=O
cas number: 1469-48-3
pubchem: 92888
broader: CHEMONTID_0001820
iupac name: (3aR,7aS)-3a,4,7,7a-tetrahydroisoindole-1,3-dione @en

1,3-diacetylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: VCHOFVSNWYPAEF-UHFFFAOYSA-N
inchi: InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3
formula: C10H10O2
notation: 13DactBen
smiles: CC(=O)C1=CC(=CC=C1)C(=O)C
broader: CHEMONTID_0004298
iupac name: 1-(3-acetylphenyl)ethanone @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 23229
cas number: 6781-42-6

perfluoroctaansulfonaat, kaliumzout
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 76041
inchikey: WFRUBUQWJYMMRQ-UHFFFAOYSA-M
formula: C8F17KO3S
cas number: 117925-64-1
cas number: 2795-39-3
cas number: 59112-13-9
cas number: 62010-27-9
cas number: 69458-54-4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003960
inchi: InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1
notation: PFOS_K
iupac name: potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate @en

2,3,4,5-tetrachloorfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: RULKYXXCCZZKDZ-UHFFFAOYSA-N
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O
cas number: 4901-51-3
cas number: 25167-83-3
broader: CHEMONTID_0002772
pubchem: 21013
inchi: InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
in scheme: Conceptschema Chemische Stoffen
notation: 2345T4ClFol
formula: C6H2Cl4O
iupac name: 2,3,4,5-TETRACHLOROPHENOL @en

2,4,5-trimethylaniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3
smiles: CC1=CC(=C(C=C1C)N)C
in scheme: Conceptschema Chemische Stoffen
formula: C9H13N
pubchem: 8717
broader: CHEMONTID_0000284
notation: 245TC1yAn
cas number: 137-17-7
inchikey: BMIPMKQAAJKBKP-UHFFFAOYSA-N
iupac name: 2,4,5-Trimethylaniline @en

hexahydrohexamethylcyclopentabenzopyran (hhcb)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene @en
alternative label: hexahydrohexamethylcyclopentabenzopyran (HHCB)
pubchem: 91497
broader: CHEMONTID_0003411
inchikey: ONKNPOPIGWHAQC-UHFFFAOYSA-N
cas number: 1222-05-5
cas number: 80450-66-4
formula: C18H26O
smiles: CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
inchi: InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
notation: HHCB
in scheme: Conceptschema Chemische Stoffen

2-methyloctadecaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3
cas number: 1560-88-9
broader: CHEMONTID_0004620
notation: 2C1yC18a
in scheme: Conceptschema Chemische Stoffen
formula: C19H40
inchikey: KVQVGSDBGJXNGV-UHFFFAOYSA-N
smiles: CCCCCCCCCCCCCCCCC(C)C
pubchem: 15264
iupac name: 2-METHYLOCTADECANE @en

Perfluoro-n-butaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: PFBA
inchi: InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)
pubchem: 9777
cas number: 375-22-4
inchikey: YPJUNDFVDDCYIH-UHFFFAOYSA-N
iupac name: 2,2,3,3,4,4,4-heptafluorobutanoic acid @en
broader: CHEMONTID_0003962
smiles: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O
alternative label: perfluor-n-butaanzuur (pfba)
alternative label: perfluor-n-butaanzuur
alternative label: perfluorbutaanzuur (pfba)
alternative label: perfluorbutaanzuur
in scheme: Conceptschema Chemische Stoffen
formula: C4HF7O2

kopersulfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: ARUVKPQLZAKDPS-UHFFFAOYSA-L
iupac name: Copper sulfate @en
cas number: 10124-44-4
cas number: 18939-61-2
cas number: 7758-98-7
cas number: 139939-69-8
formula: CuO4S
pubchem: 24462
broader: CHEMONTID_0000858
smiles: [O-]S(=O)(=O)[O-].[Cu+2]
notation: CuSO4
inchi: InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
in scheme: Conceptschema Chemische Stoffen

flutamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C11H11F3N2O3
cas number: 13311-84-7
cas number: 37209-54-4
cas number: 337962-98-8
pubchem: 3397
notation: flutmde
iupac name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide @en
smiles: CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
inchikey: MKXKFYHWDHIYRV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
broader: CHEMONTID_0004551

ftaalzuuranhydride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 39363-63-8
cas number: 85-44-9
cas number: 68411-80-3
pubchem: 6811
smiles: C1=CC=C2C(=C1)C(=O)OC2=O
inchikey: LGRFSURHDFAFJT-UHFFFAOYSA-N
notation: ftaalzrahdde
formula: C8H4O3
iupac name: 2-benzofuran-1,3-dione @en
broader: CHEMONTID_0001109
inchi: InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
in scheme: Conceptschema Chemische Stoffen

2-hexanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: QNVRIHYSUZMSGM-UHFFFAOYSA-N
cas number: 52019-78-0
cas number: 54972-97-3
cas number: 20281-86-1
cas number: 26549-24-6
cas number: 626-93-7
cas number: 69203-06-1
cas number: 37769-60-1
formula: C6H14O
in scheme: Conceptschema Chemische Stoffen
pubchem: 12297
iupac name: hexan-2-ol @en
notation: 2C6ol
broader: CHEMONTID_0001661
smiles: CCCCC(C)O
inchi: InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3

benzoylperoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: benzoyl benzenecarboperoxoate @en
smiles: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
cas number: 132323-44-5
cas number: 37370-29-9
cas number: 143928-58-9
cas number: 94-36-0
cas number: 117989-71-6
pubchem: 7187
in scheme: Conceptschema Chemische Stoffen
notation: benzypO
inchi: InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H
formula: C14H10O4
broader: CHEMONTID_0004112
inchikey: OMPJBNCRMGITSC-UHFFFAOYSA-N

broomtrichloorethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0001516
inchi: InChI=1S/C2H2BrCl3/c3-1-2(4,5)6/h1H2
formula: C2H2BrCl3
in scheme: Conceptschema Chemische Stoffen
pubchem: 182782
cas number: 127099-33-6
iupac name: 2-bromo-1,1,1-trichloroethane @en
inchikey: DNYWXJPIRSNXIP-UHFFFAOYSA-N
smiles: C(C(Cl)(Cl)Cl)Br

6-allyl-4-methoxy-1,3-benzodioxol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 4276
inchi: InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
notation: 6all4C1ox13B
smiles: COC1=CC(=CC2=C1OCO2)CC=C
in scheme: Conceptschema Chemische Stoffen
formula: C11H12O3
iupac name: 4-methoxy-6-prop-2-enyl-1,3-benzodioxole @en
inchikey: BNWJOHGLIBDBOB-UHFFFAOYSA-N
broader: CHEMONTID_0000296
cas number: 607-91-0

sulfadiazine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0001925
smiles: C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
formula: C10H10N4O2S
iupac name: 4-amino-N-pyrimidin-2-ylbenzenesulfonamide @en
cas number: 68-35-9
cas number: 141582-64-1
in scheme: Conceptschema Chemische Stoffen
notation: sulfdazne
inchikey: SEEPANYCNGTZFQ-UHFFFAOYSA-N
pubchem: 5215
inchi: InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)

chlooroxynil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 74685
formula: C7H3Cl2NO
notation: ClOxnl
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564
inchi: InChI=1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
smiles: C1=C(C=C(C(=C1Cl)O)Cl)C#N
inchikey: YRSSHOVRSMQULE-UHFFFAOYSA-N
cas number: 1891-95-8
iupac name: 3,5-Dichloro-4-hydroxybenzonitrile @en

dihydrosafrol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: MYEIDJPOUKASEC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: DHsfl
pubchem: 7197
cas number: 94-58-6
formula: C10H12O2
broader: CHEMONTID_0000296
smiles: CCCC1=CC2=C(C=C1)OCO2
inchi: InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3
iupac name: 5-Propyl-1,3-benzodioxole @en

dimethyldithiocarbamaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CN(C)C(=S)S
pubchem: 6599
broader: CHEMONTID_0000004
iupac name: dimethylaminomethanedithioic acid @en
notation: DC1yDtocbmt
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)
inchikey: MZGNSEAPZQGJRB-UHFFFAOYSA-N
formula: C3H7NS2
cas number: 79-45-8

sulcotrion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0004673
pubchem: 91760
formula: C14H13ClO5S
cas number: 99105-77-8
cas number: 114680-61-4
cas number: 123174-48-1
iupac name: 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione @en
notation: sulcton
inchi: InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
inchikey: PQTBTIFWAXVEPB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

16alfa-ethyl-21-hydroxy-19-nor-4-pregnene-3,20-dione
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C22H32O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21,23H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1
notation: org2058
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
pubchem: 119086
cas number: 24320-06-7
inchikey: IJLXLZGJDSJGIQ-BILPMHSYSA-N
formula: C22H32O3
iupac name: (8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one @en

(pentabroomfenyl)methylacrylaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: PeBrFyC1yacl
inchikey: GRKDVZMVHOLESV-UHFFFAOYSA-N
formula: C10H5Br5O2
inchi: InChI=1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2
cas number: 59447-55-1
smiles: C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
pubchem: 101059
iupac name: (2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001097

europium 154
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/Eu/i1+2
inchikey: OGPBJKLSAFTDLK-NJFSPNSNSA-N
notation: Eu154
broader: CHEMONTID_0000429
smiles: [Eu]
cas number: 15585-10-1
pubchem: 105012
iupac name: europium-154 @en
in scheme: Conceptschema Chemische Stoffen
formula: Eu

ijzer 59
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/Fe/i1+3
cas number: 14596-12-4
pubchem: 104784
inchikey: XEEYBQQBJWHFJM-AKLPVKDBSA-N
formula: Fe
broader: CHEMONTID_0000426
iupac name: iron-59 @en
notation: Fe59
in scheme: Conceptschema Chemische Stoffen
smiles: [Fe]

4H-cyclopenta(def)fenantreen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 9147
inchi: InChI=1S/C15H10/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h1-8H,9H2
cas number: 203-64-5
notation: 4HccPedefF02
in scheme: Conceptschema Chemische Stoffen
formula: C15H10
alternative label: 4h-cyclopenta(def)fenantreen
inchikey: RKZDZWJDQTZDLD-UHFFFAOYSA-N
iupac name: tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene @en
smiles: C1C2=CC=CC3=C2C4=C(C=CC=C41)C=C3
broader: CHEMONTID_0000025

betamethason
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: UREBDLICKHMUKA-DVTGEIKXSA-N
formula: C22H29FO5
iupac name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one @en
inchi: InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
notation: betmtsn
cas number: 378-44-9
in scheme: Conceptschema Chemische Stoffen
pubchem: 9782
broader: CHEMONTID_0003095

hexamethyldisiloxaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: HxC1yDslxn
formula: C6H18OSi2
in scheme: Conceptschema Chemische Stoffen
inchikey: UQEAIHBTYFGYIE-UHFFFAOYSA-N
broader: CHEMONTID_0003205
pubchem: 24764
smiles: C[Si](C)(C)O[Si](C)(C)C
iupac name: trimethyl-trimethylsilyloxysilane @en
cas number: 107-46-0
cas number: 9006-65-9
inchi: InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3

tylosine tartraat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1405-54-5
iupac name: (2R,3R)-2,3-dihydroxybutanedioic acid; 2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde @en
pubchem: 6433274
broader: CHEMONTID_0000282
inchi: InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30?,32-,33-,35+,36-,37-,38-,39?,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1
inchikey: ICVKYYINQHWDLM-YLNALPTESA-N
notation: tylsnttt
in scheme: Conceptschema Chemische Stoffen
formula: C50H83NO23

natriumwaterstofsulfiet
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: NaO3S-
broader: CHEMONTID_0000661
smiles: [O-]S(=O)[O-].[Na+]
inchi: InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-2
in scheme: Conceptschema Chemische Stoffen
inchikey: DWAQJAXMDSEUJJ-UHFFFAOYSA-L
pubchem: 6398973
cas number: 57414-01-4
cas number: 89830-27-3
cas number: 91829-63-9
cas number: 7631-90-5
cas number: 69098-86-8
iupac name: SODIUM SULFITE @en
notation: NaHSO3

oxcarbamazepine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000320
notation: oxcbmzpne
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)
inchikey: CTRLABGOLIVAIY-UHFFFAOYSA-N
pubchem: 34312
formula: C15H12N2O2
iupac name: 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide @en
cas number: 28721-07-5
smiles: C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N

2H,2H,3H,3H-perfluorundecaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0003086
inchikey: JZRCRCFPVAXHHQ-UHFFFAOYSA-N
alternative label: 2h,2h,3h,3h-perfluorundecaanzuur
inchi: InChI=1S/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)
iupac name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid @en
in scheme: Conceptschema Chemische Stoffen
cas number: 34598-33-9
pubchem: 2782413
formula: C11H5F17O2
notation: H-PFUdA
notation: 4H-PFUnDA

endosulfansulfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1031-07-8
cas number: 6749-25-3
cas number: 87695-43-0
broader: CHEMONTID_0001184
formula: C9H6Cl6O4S
pubchem: 13940
notation: endsfSO4
inchikey: AAPVQEMYVNZIOO-UHFFFAOYSA-N
iupac name: 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda6-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide @en
inchi: InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
in scheme: Conceptschema Chemische Stoffen

2-methylcyclohexanon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 583-60-8
cas number: 24965-84-2
in scheme: Conceptschema Chemische Stoffen
inchikey: LFSAPCRASZRSKS-UHFFFAOYSA-N
inchi: InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
broader: CHEMONTID_0003487
is referenced by: LUC IV 012
is referenced by: LUC IV 007
pubchem: 11419
formula: C7H12O
iupac name: 2-methylcyclohexan-1-one @en
smiles: CC1CCCCC1=O

dimethoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C5H12NO3PS2
inchikey: MCWXGJITAZMZEV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004164
iupac name: 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide @en
notation: Dmtat
cas number: 56833-73-9
cas number: 79956-18-6
cas number: 11003-53-5
cas number: 11096-20-1
cas number: 60-51-5
pubchem: 3082
smiles: CNC(=O)CSP(=S)(OC)OC
inchi: InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)

4-nonylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: IGFHQQFPSIBGKE-UHFFFAOYSA-N
broader: CHEMONTID_0004646
pubchem: 1752
smiles: CCCCCCCCCC1=CC=C(C=C1)O
alternative label: 4-n-nonylfenol
iupac name: 4-NONYLPHENOL @en
inchi: InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
notation: 4C9yFol
cas number: 29832-11-9
cas number: 68081-86-7
cas number: 104-40-5
in scheme: Conceptschema Chemische Stoffen
is referenced by: WAC IV A 005
formula: C15H24O

magnesiumfosfide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: Mg3P2
notation: MgP
cas number: 12057-74-8
inchikey: VUBDMGXNLNDGIY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: trimagnesium phosphorus(-3) anion @en
inchi: InChI=1S/3Mg.2P/q3*+2;2*-3
smiles: [Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]
pubchem: 61546
broader: CHEMONTID_0001270

2,2',3,3',5,5',6,6'-octachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: PCB202
inchi: InChI=1S/C12H2Cl8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H
inchikey: JPOPEORRMSDUIP-UHFFFAOYSA-N
formula: C12H2Cl8
iupac name: 1,2,4,5-tetrachloro-3-(2,3,5,6-tetrachlorophenyl)benzene @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030
pubchem: 16495
cas number: 2136-99-4

antimoon 124
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 6335510
formula: Sb
inchi: InChI=1S/Sb/i1+2
broader: CHEMONTID_0000431
cas number: 14683-10-4
smiles: [Sb]
iupac name: antimony-124 @en
inchikey: WATWJIUSRGPENY-NJFSPNSNSA-N
notation: Sb124
in scheme: Conceptschema Chemische Stoffen

fluchloralin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: N-(2-Chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline @en
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
formula: C12H13ClF3N3O4
smiles: CCCN(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
inchikey: MNFMIVVPXOGUMX-UHFFFAOYSA-N
notation: fluClaln
cas number: 33245-39-5
pubchem: 36392

1,2-dibroom-2,4-dicyanobutaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C(CC(CBr)(C#N)Br)C#N
iupac name: 2-BROMO-2-(BROMOMETHYL)PENTANEDINITRILE @en
pubchem: 61948
in scheme: Conceptschema Chemische Stoffen
notation: 12DBr24DCNC4
broader: CHEMONTID_0000362
inchi: InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2
formula: C6H6Br2N2
inchikey: DHVLDKHFGIVEIP-UHFFFAOYSA-N
cas number: 35691-65-7

9-octylhexacosaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 9C8yC26a
in scheme: Conceptschema Chemische Stoffen
iupac name: 9-octylhexacosane @en
broader: CHEMONTID_0004620
pubchem: 296567
cas number: 55429-83-9
smiles: CCCCCCCCCCCCCCCCCC(CCCCCCCC)CCCCCCCC
formula: C34H70
inchikey: CDTWRIBBCOMBSI-UHFFFAOYSA-N

trifluormethaansulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1493-13-6
cas number: 2794-60-7
pubchem: 76040
iupac name: barium(+2) cation; trifluoromethanesulfonate @en
inchi: InChI=1S/2CHF3O3S.Ba/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
in scheme: Conceptschema Chemische Stoffen
inchikey: DXJURUJRANOYMX-UHFFFAOYSA-L
formula: C2BaF6O6S2
broader: CHEMONTID_0004581
notation: TFlC1asfzr
smiles: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ba+2]

perfluoroctaanzuur, zilver(1plus)zout (1-1)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: PFOA_Ag
cas number: 335-93-3
inchi: InChI=1S/C8HF15O2.Ag/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1
pubchem: 71079
in scheme: Conceptschema Chemische Stoffen
formula: C8AgF15O2
broader: CHEMONTID_0003962
iupac name: silver 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate @en
inchikey: HXWHIGAHMKKVBV-UHFFFAOYSA-M

triazofos
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2
notation: Tazfs
iupac name: diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidenephosphorane @en
alternative label: triazophos
inchikey: AMFGTOFWMRQMEM-UHFFFAOYSA-N
cas number: 24017-47-8
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003314
formula: C12H16N3O3PS
inchi: InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
pubchem: 32184

maltodextrine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001498
iupac name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal @en
pubchem: 107526
in scheme: Conceptschema Chemische Stoffen
cas number: 28823-03-2
cas number: 9050-36-6
cas number: 815-92-9
cas number: 19030-38-7
inchikey: GZCGUPFRVQAUEE-SLPGGIOYSA-N
notation: maltdtne
inchi: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
formula: C6H12O6
smiles: C(C(C(C(C(C=O)O)O)O)O)O

2,3,3',4'-tetrachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 41464-43-1
formula: C12H6Cl4
inchikey: UNCGJRRROFURDV-UHFFFAOYSA-N
iupac name: 1,2-dichloro-4-(2,3-dichlorophenyl)benzene @en
in scheme: Conceptschema Chemische Stoffen
notation: PCB56
inchi: InChI=1S/C12H6Cl4/c13-9-5-4-7(6-11(9)15)8-2-1-3-10(14)12(8)16/h1-6H
broader: CHEMONTID_0003030
pubchem: 38879

op'dichloordifenyldichloorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
formula: C14H10Cl4
notation: 24DDD
iupac name: 1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene @en
broader: CHEMONTID_0000369
pubchem: 4211
cas number: 53-19-0
inchikey: JWBOIMRXGHLCPP-UHFFFAOYSA-N
alternative label: 2,4'-dichloordifenyldichloorethaan
alternative label: o,p’-ddd

1,1,1,2-tetrachloorethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: 1112T4ClC2a
broader: CHEMONTID_0001516
iupac name: 1,1,1,2-TETRACHLOROETHANE @en
cas number: 630-20-6
formula: C2H2Cl4
pubchem: 12418
inchikey: QVLAWKAXOMEXPM-UHFFFAOYSA-N
smiles: C(C(Cl)(Cl)Cl)Cl
inchi: InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2
in scheme: Conceptschema Chemische Stoffen

strontium 89
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: CIOAGBVUUVVLOB-OUBTZVSYSA-N
broader: CHEMONTID_0000428
pubchem: 5388880
iupac name: strontium-89 @en
in scheme: Conceptschema Chemische Stoffen
smiles: [Sr]
notation: Sr89
inchi: InChI=1S/Sr/i1+1
formula: Sr
cas number: 14158-27-1

methylindool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: MLPOSYHILZVCJH-UHFFFAOYSA-N
cas number: 27323-28-0
smiles: CC1=CC2=C(C=C1)NC=C2.CC1=CC2=CC=CC=C2N1
iupac name: 2-methyl-1H-indole; 5-methyl-1H-indole @en
formula: C18H18N2
notation: C1yidl
broader: CHEMONTID_0002497
inchi: InChI=1S/2C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9;1-7-6-8-4-2-3-5-9(8)10-7/h2*2-6,10H,1H3
pubchem: 33781

fenaminosulf
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003901
notation: fenmnsf
cas number: 140-56-7
cas number: 150-70-9
iupac name: sodium N-(4-dimethylaminophenyl)iminosulfamate @en
inchi: InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1
in scheme: Conceptschema Chemische Stoffen
formula: C8H10N3NaO3S
pubchem: 8807
inchikey: IWDQPCIQCXRBQP-UHFFFAOYSA-M
smiles: CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+]

4,4'-methyleenbis(n,n-dimethylaniline)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 30135-64-9
cas number: 101-61-1
inchikey: JNRLEMMIVRBKJE-UHFFFAOYSA-N
iupac name: 4-[(4-dimethylaminophenyl)methyl]-N,N-dimethylaniline @en
in scheme: Conceptschema Chemische Stoffen
notation: 44C1yebNNDC1
formula: C17H22N2
smiles: CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C
alternative label: 4,4'-methyleenbis(N,N-dimethylaniline)
pubchem: 7567
broader: CHEMONTID_0000369
inchi: InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3

2,3-dichloor-1,1,1,2,3-pentafluorpropaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C3HCl2F5
cas number: 422-48-0
pubchem: 61111
smiles: C(C(C(F)(F)F)(F)Cl)(F)Cl
notation: HCFK225ba
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3HCl2F5/c4-1(6)2(5,7)3(8,9)10/h1H
iupac name: 2,3-DICHLORO-1,1,1,2,3-PENTAFLUOROPROPANE @en
inchikey: YGFIGGVCQHKDOL-UHFFFAOYSA-N

cis-5,8,11,14,17-eicosapentaeenzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 25377-48-4
cas number: 10417-94-4
formula: C20H30O2
inchikey: JAZBEHYOTPTENJ-JLNKQSITSA-N
broader: CHEMONTID_0002949
pubchem: 446284
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
notation: cC20aPezr
iupac name: (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid @en
smiles: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O

saccharine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C7H5NO3S
smiles: C1=CC=C2C(=C1)C(=O)NS2(=O)=O
notation: saccrne
cas number: 126987-83-5
cas number: 81-07-2
cas number: 474-91-9
cas number: 61255-27-4
broader: CHEMONTID_0000311
inchi: InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
iupac name: 1,1-dioxo-1,2-benzothiazol-3-one @en
inchikey: CVHZOJJKTDOEJC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 5143

metham-natrium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: AFCCDDWKHLHPDF-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004099
pubchem: 8727
cas number: 144-54-7
cas number: 6734-80-1
cas number: 137-42-8
formula: C2H4NNaS2
notation: metNa
smiles: CN=C(S)[S-].[Na+]
iupac name: sodium methylaminomethanedithioate @en
inchi: InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1

kobalt 56
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14093-03-9
notation: Co56
pubchem: 166998
inchi: InChI=1S/Co/i1-3
iupac name: cobalt-56 @en
in scheme: Conceptschema Chemische Stoffen
inchikey: GUTLYIVDDKVIGB-OIOBTWANSA-N
broader: CHEMONTID_0000426
formula: Co
smiles: [Co]

simazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 11141-20-1
cas number: 12764-71-5
cas number: 119603-94-0
cas number: 39291-64-0
cas number: 122-34-9
iupac name: 6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine @en
pubchem: 5216
notation: simzne
broader: CHEMONTID_0004721
formula: C7H12ClN5
in scheme: Conceptschema Chemische Stoffen
smiles: CCNC1=NC(=NC(=N1)Cl)NCC
inchi: InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
inchikey: ODCWYMIRDDJXKW-UHFFFAOYSA-N

chloordifluormethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 75-45-6
cas number: 134191-96-1
cas number: 73666-77-0
cas number: 191542-01-5
inchikey: VOPWNXZWBYDODV-UHFFFAOYSA-N
iupac name: chloro-difluoromethane @en
pubchem: 6372
broader: CHEMONTID_0004160
in scheme: Conceptschema Chemische Stoffen
smiles: C(F)(F)Cl
notation: HCFK22
formula: CHClF2
inchi: InChI=1S/CHClF2/c2-1(3)4/h1H

spiromesifen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 9907412
inchi: InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3
inchikey: GOLXNESZZPUPJE-UHFFFAOYSA-N
formula: C23H30O4
broader: CHEMONTID_0000324
cas number: 283594-90-1
iupac name: [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 3,3-dimethylbutanoate @en
notation: spirmsfn

5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2-benzofuranon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C11H16O2
inchi: InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
broader: CHEMONTID_0000301
smiles: CC1(CCCC2(C1=CC(=O)O2)C)C
in scheme: Conceptschema Chemische Stoffen
cas number: 19432-05-4
cas number: 15356-74-8
cas number: 17092-92-1
iupac name: 4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one @en
inchikey: IMKHDCBNRDRUEB-UHFFFAOYSA-N
notation: 5677aT4H447a
pubchem: 27209

tibolon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: (7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one @en
broader: CHEMONTID_0001194
notation: tibln
formula: C21H28O2
pubchem: 444008
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1
cas number: 5630-53-5
inchikey: WZDGZWOAQTVYBX-XOINTXKNSA-N

4-hydroxy-2,5,6-trichloorisoftalonitril
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile @en
smiles: C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O
broader: CHEMONTID_0001530
notation: HTI
pubchem: 34217
inchi: InChI=1S/C8HCl3N2O/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H
alternative label: 4-hydroxy-2,5,6-trichloroisophthalonitrile
inchikey: MDQKYGOECVSPIW-UHFFFAOYSA-N
cas number: 28343-61-5
formula: C8HCl3N2O
in scheme: Conceptschema Chemische Stoffen

2,4,7,9-tetramethyl-5-decyn-4,7-diol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 171023-04-4
cas number: 37211-43-1
cas number: 166737-17-3
cas number: 126-86-3
cas number: 8043-35-4
cas number: 61879-19-4
iupac name: 2,4,7,9-Tetramethyldec-5-yne-4,7-diol @en
broader: CHEMONTID_0001373
smiles: CC(C)CC(C)(C#CC(C)(CC(C)C)O)O
pubchem: 31362
inchikey: LXOFYPKXCSULTL-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3
notation: 2479T4C1y5dc
formula: C14H26O2

butocarboxim
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004752
cas number: 34681-10-2
inchikey: SFNPDDSJBGRXLW-UITAMQMPSA-N
notation: butcbOxm
smiles: CC(C(=NOC(=O)NC)C)SC
inchi: InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5-
pubchem: 5368008
formula: C7H14N2O2S
iupac name: (3-methylsulfanylbutan-2-ylideneamino) N-methylcarbamate @en
in scheme: Conceptschema Chemische Stoffen

aclonifen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl
cas number: 74070-46-5
broader: CHEMONTID_0004155
inchi: InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2
pubchem: 92389
formula: C12H9ClN2O3
in scheme: Conceptschema Chemische Stoffen
inchikey: DDBMQDADIHOWIC-UHFFFAOYSA-N
iupac name: 2-chloro-6-nitro-3-(phenoxy)aniline @en
notation: acnfn

hexachloorbutadieen (hcbd)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C4Cl6
alternative label: hexachloorbutadieen
broader: CHEMONTID_0002863
notation: HxClbtDen
inchikey: RWNKSTSCBHKHTB-UHFFFAOYSA-N
smiles: C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl
iupac name: 1,1,2,3,4,4-hexachlorobuta-1,3-diene @en
cas number: 87-68-3
pubchem: 6901
inchi: InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10

myclobutanil
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 96281-50-4
cas number: 88671-89-0
cas number: 154144-93-1
cas number: 205862-69-7
in scheme: Conceptschema Chemische Stoffen
formula: C15H17ClN4
iupac name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile @en
smiles: CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl
pubchem: 6336
inchi: InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
inchikey: HZJKXKUJVSEEFU-UHFFFAOYSA-N
notation: mycbtnl
broader: CHEMONTID_0001099

fosetyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C2H6O3P+
inchikey: ZUNGGJHBMLMRFJ-UHFFFAOYSA-O
pubchem: 6328134
notation: fostl
broader: CHEMONTID_0000323
cas number: 15845-66-6
inchi: InChI=1S/C2H5O3P/c1-2-5-6(3)4/h2H2,1H3/p+1
iupac name: ethoxy-hydroxy-oxophosphanium @en
in scheme: Conceptschema Chemische Stoffen
smiles: CCO[P+](=O)O

methylcyclohexaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 108-87-2
inchikey: UAEPNZWRGJTJPN-UHFFFAOYSA-N
formula: C7H14
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
iupac name: Methylcyclohexane @en
pubchem: 7962
notation: C1yccC6a
smiles: CC1CCCCC1
broader: CHEMONTID_0001016

3,5-dimethylheptaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 926-82-9
smiles: CCC(C)CC(C)CC
inchi: InChI=1S/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3
broader: CHEMONTID_0004620
inchikey: DZJTZGHZAWTWGA-UHFFFAOYSA-N
notation: 35DC1yC5a
formula: C9H20
iupac name: 3,5-DIMETHYLHEPTANE @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 13558

propachloor
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: MFOUDYKPLGXPGO-UHFFFAOYSA-N
broader: CHEMONTID_0000285
formula: C11H14ClNO
notation: propCl
inchi: InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
pubchem: 4931
alternative label: propachlor
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)N(C1=CC=CC=C1)C(=O)CCl
cas number: 1918-16-7
cas number: 63704-81-4
iupac name: 2-chloro-N-phenyl-N-propan-2-ylacetamide @en

disulfoton-sulfon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0004164
smiles: CCOP(=S)(OCC)SCCS(=O)(=O)CC
inchikey: BKVJOVPVLOJPKJ-UHFFFAOYSA-N
inchi: InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 17241
cas number: 2497-06-5
notation: Dsftsfn
iupac name: diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidenephosphorane @en
formula: C8H19O4PS3

2,2,4-trimethyl-1,3-pentaandioldiisobutyraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C16H30O4
cas number: 6846-50-0
cas number: 53490-81-6
notation: 224TC1y13C02
broader: CHEMONTID_0000346
inchikey: OMVSWZDEEGIJJI-UHFFFAOYSA-N
pubchem: 23284
smiles: CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C
inchi: InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3
in scheme: Conceptschema Chemische Stoffen
iupac name: [2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] 2-methylpropanoate @en

alachloorethaansulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C14H21NO5S/c1-4-11-7-6-8-12(5-2)14(11)15(10-20-3)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19)
in scheme: Conceptschema Chemische Stoffen
notation: alClC2asfz
broader: CHEMONTID_0000285
iupac name: 2-[(2,6-diethylphenyl)-(methoxymethyl)amino]-2-oxoethanesulfonic acid @en
cas number: 142363-53-9
formula: C14H21NO5S
pubchem: 115236
inchikey: UTCJUUGCHWHUNI-UHFFFAOYSA-N

propyl-4-hydroxybenzoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: C3y4HOxbzat
cas number: 85403-59-4
cas number: 94-13-3
cas number: 59593-07-6
smiles: CCCOC(=O)C1=CC=C(C=C1)O
inchi: InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
inchikey: QELSKZZBTMNZEB-UHFFFAOYSA-N
broader: CHEMONTID_0004702
formula: C10H12O3
iupac name: Propyl 4-hydroxybenzoate @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 7175

3-methylpentaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C6H12O2
broader: CHEMONTID_0003544
inchi: InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
in scheme: Conceptschema Chemische Stoffen
inchikey: IGIDLTISMCAULB-UHFFFAOYSA-N
cas number: 105-43-1
cas number: 22160-40-3
notation: 3C1yC5azr
smiles: CCC(C)CC(=O)O
iupac name: 3-METHYLPENTANOIC ACID @en
pubchem: 7755

clothianidine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 213027
inchi: InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
in scheme: Conceptschema Chemische Stoffen
cas number: 205510-92-5
cas number: 210880-92-5
cas number: 205510-53-8
notation: clotandne
formula: C6H8ClN5O2S
inchikey: PGOOBECODWQEAB-UHFFFAOYSA-N
smiles: CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]
iupac name: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine @en
broader: CHEMONTID_0002635

octocrilene
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
notation: octclne
formula: C24H27NO2
in scheme: Conceptschema Chemische Stoffen
inchikey: FMJSMJQBSVNSBF-UHFFFAOYSA-N
cas number: 149984-83-8
cas number: 6197-30-4
cas number: 80135-31-5
broader: CHEMONTID_0000369
iupac name: 2-ethylhexyl 2-cyano-3,3-di(phenyl)prop-2-enoate @en
pubchem: 22571

cefadroxil
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: BOEGTKLJZSQCCD-UEKVPHQBSA-N
iupac name: (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid @en
pubchem: 47965
notation: cefdxl
in scheme: Conceptschema Chemische Stoffen
formula: C16H17N3O5S
inchi: InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
broader: CHEMONTID_0000173
cas number: 50370-12-2

3-methylbenzaldehyde
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 620-23-5
smiles: CC1=CC(=CC=C1)C=O
pubchem: 12105
inchi: InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
notation: 3C1yBenAh
broader: CHEMONTID_0000321
inchikey: OVWYEQOVUDKZNU-UHFFFAOYSA-N
iupac name: 3-Methylbenzaldehyde @en
formula: C8H8O

dioctyldimethylammoniumchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 62581
notation: DODMAC
broader: CHEMONTID_0004225
iupac name: dimethyl-dioctylazanium chloride @en
smiles: CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]
formula: C18H40ClN
inchikey: FARBQUXLIQOIDY-UHFFFAOYSA-M
inchi: InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
cas number: 5538-94-3
in scheme: Conceptschema Chemische Stoffen

natriumsulfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 68140-10-3
cas number: 68081-98-1
cas number: 1337-28-6
cas number: 67762-51-0
cas number: 15124-09-1
cas number: 7757-82-6
cas number: 68412-82-8
inchikey: PMZURENOXWZQFD-UHFFFAOYSA-L
broader: CHEMONTID_0000660
iupac name: Disodium sulfate @en
pubchem: 24436
in scheme: Conceptschema Chemische Stoffen
smiles: [O-]S(=O)(=O)[O-].[Na+].[Na+]
formula: Na2O4S
inchi: InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2
notation: NaSO4

di-(2-butoxyethyl)ftalaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: D2C4oxC2yFt
smiles: CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC
formula: C20H30O6
cas number: 117-83-9
pubchem: 8345
iupac name: bis(2-butoxyethyl) benzene-1,2-dicarboxylate @en
inchikey: CMCJNODIWQEOAI-UHFFFAOYSA-N
broader: CHEMONTID_0001350
inchi: InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3
in scheme: Conceptschema Chemische Stoffen

2,4-dinitroaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 7321
inchi: InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2
notation: 24DNO2An
inchikey: LXQOQPGNCGEELI-UHFFFAOYSA-N
iupac name: 2,4-Dinitroaniline @en
broader: CHEMONTID_0003968
smiles: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
formula: C6H5N3O4
in scheme: Conceptschema Chemische Stoffen
cas number: 97-02-9

dimethylformamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 6228
is referenced by: LUC IV 000
is referenced by: LUC IV 010
inchikey: ZMXDDKWLCZADIW-UHFFFAOYSA-N
iupac name: N,N-Dimethylformamide @en
cas number: 15175-77-6
cas number: 15175-63-0
cas number: 114057-15-7
cas number: 33513-42-7
cas number: 68-12-2
smiles: CN(C)C=O
broader: CHEMONTID_0001664
comment: VLAR II bijl. 4.4.2 N, N-dimethylformamide
notation: DC1yfAd
inchi: InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
formula: C3H7NO
in scheme: Conceptschema Chemische Stoffen

koolstof 13
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: Carbane-13 @en
broader: CHEMONTID_0002500
inchi: InChI=1S/CH4/h1H4/i1+1
inchikey: VNWKTOKETHGBQD-OUBTZVSYSA-N
pubchem: 105026
smiles: C
cas number: 14762-74-4
in scheme: Conceptschema Chemische Stoffen
notation: C13
formula: CH4

fluoride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
is referenced by: CMA 2 II A.14
is referenced by: WAC III C 022
is referenced by: CMA 2 II B.1
is referenced by: CMA 2 I C.1.1
is referenced by: WAC III C 020
is referenced by: CMA 2 I C.1.2
is referenced by: CMA 2 I C
cas number: 16984-48-8
iupac name: fluoride @en
notation: F
broader: CHEMONTID_0000432
formula: F-
smiles: [F-]
inchi: InChI=1S/FH/h1H/p-1
pubchem: 28179
inchikey: KRHYYFGTRYWZRS-UHFFFAOYSA-M

natriumdimethyldithiocarbamaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0004099
cas number: 122544-46-1
cas number: 191490-26-3
cas number: 165724-02-7
cas number: 72140-17-1
cas number: 128-04-1
iupac name: sodium dimethylaminomethanedithioate @en
formula: C3H6NNaS2
inchikey: VMSRVIHUFHQIAL-UHFFFAOYSA-M
smiles: CN(C)C(=S)[S-].[Na+]
pubchem: 31397
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
notation: NaDC1yDtocbm

propyleenimine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3
broader: CHEMONTID_0000103
cas number: 18961-44-9
cas number: 59204-10-3
cas number: 18961-45-0
cas number: 75-55-8
inchikey: OZDGMOYKSFPLSE-UHFFFAOYSA-N
pubchem: 6377
iupac name: 2-Methylaziridine @en
smiles: CC1CN1
in scheme: Conceptschema Chemische Stoffen
notation: C3yeimne
formula: C3H7N

1-propaanthiol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 107-03-9
cas number: 79869-58-2
cas number: 51285-52-0
iupac name: Propane-1-thiol @en
in scheme: Conceptschema Chemische Stoffen
notation: 1C3atol
broader: CHEMONTID_0001212
formula: C3H8S
smiles: CCCS
inchikey: SUVIGLJNEAMWEG-UHFFFAOYSA-N
pubchem: 7848
inchi: InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3

1-methaansulfonyl-4-methylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C8H10O2S
inchikey: YYDNBUBMBZRNQQ-UHFFFAOYSA-N
smiles: CC1=CC=C(C=C1)S(=O)(=O)C
inchi: InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
iupac name: 1-methyl-4-methylsulfonylbenzene @en
cas number: 3185-99-7
broader: CHEMONTID_0003276
notation: 1C1asfn4C1yB
pubchem: 18521
in scheme: Conceptschema Chemische Stoffen

3,4-dimethylacetofenon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 1-(3,4-dimethylphenyl)ethanone @en
notation: 34DC1yactfnn
cas number: 3637-01-2
broader: CHEMONTID_0004298
inchi: InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3
pubchem: 77193
inchikey: WPRAXAOJIODQJR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C10H12O
smiles: CC1=C(C=C(C=C1)C(=O)C)C

urethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CCOC(=O)N
cas number: 121382-27-2
cas number: 26680-22-8
cas number: 51-79-6
inchikey: JOYRKODLDBILNP-UHFFFAOYSA-N
pubchem: 5641
broader: CHEMONTID_0002285
iupac name: Ethyl carbamate @en
notation: urtn
formula: C3H7NO2
inchi: InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)

4-tertiair-octylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 37769-53-2
cas number: 85771-77-3
cas number: 140-66-9
pubchem: 8814
inchi: InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
formula: C14H22O
inchikey: ISAVYTVYFVQUDY-UHFFFAOYSA-N
broader: CHEMONTID_0002811
iupac name: 4-(2,4,4-trimethylpentan-2-yl)phenol @en
smiles: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
alternative label: 4-tert-octylfenol
in scheme: Conceptschema Chemische Stoffen
notation: 4ttC8yFol

1-aminobutaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000469
smiles: CCCCN
cas number: 85404-21-3
cas number: 42939-72-0
cas number: 50929-03-8
cas number: 109-73-9
inchi: InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
inchikey: HQABUPZFAYXKJW-UHFFFAOYSA-N
formula: C4H11N
pubchem: 8007
iupac name: butan-1-amine @en
notation: 1AoC4a
in scheme: Conceptschema Chemische Stoffen

mancozeb
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 91570
in scheme: Conceptschema Chemische Stoffen
smiles: C(CN=C(S)[S-])N=C(S)[S-].C(CN=C(S)[S-])N=C(S)[S-].[Mn+2].[Zn+2]
cas number: 12656-69-8
cas number: 172672-41-2
cas number: 8018-01-7
iupac name: zinc; manganese(+2) cation; [2-(sulfidocarbothioylamino)ethylamino]methanedithioate @en
inchikey: CHNQZRKUZPNOOH-UHFFFAOYSA-J
broader: CHEMONTID_0004177
notation: manczb
formula: C8H12MnN4S8Zn
inchi: InChI=1S/2C4H8N2S4.Mn.Zn/c2*7-3(8)5-1-2-6-4(9)10;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;2*+2/p-4

terpinhydraat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0001401
pubchem: 17141
iupac name: 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol hydrate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 2451-01-6
smiles: CC1(CCC(CC1)C(C)(C)O)O.O
inchi: InChI=1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2
inchikey: JGKJMBOJWVAMIJ-UHFFFAOYSA-N
notation: terpihdt
formula: C10H22O3

n-decaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
is referenced by: LUC IV 011
is referenced by: LUC IV 006
is referenced by: LUC IV 000
iupac name: Decane @en
inchi: InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
formula: C10H22
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
broader: CHEMONTID_0002500
cas number: 73138-29-1
cas number: 124-18-5
cas number: 63335-87-5
pubchem: 15600
notation: C10a
inchikey: DIOQZVSQGTUSAI-UHFFFAOYSA-N
alternative label: decaan
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCC

mefenacet
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: mefnct
formula: C16H14N2O2S
pubchem: 91716
smiles: CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2
inchi: InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
cas number: 73250-68-7
iupac name: 2-(1,3-Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide @en
inchikey: XIGAUIHYSDTJHW-UHFFFAOYSA-N

acetonitril
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: Acetonitrile @en
pubchem: 6342
inchi: InChI=1S/C2H3N/c1-2-3/h1H3
formula: C2H3N
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen
inchikey: WEVYAHXRMPXWCK-UHFFFAOYSA-N
cas number: 54841-72-4
cas number: 75-05-8
cas number: 26809-02-9
smiles: CC#N
notation: actntl

dodine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CCCCCCCCCCCCN=C(N)N.CC(=O)O
cas number: 2439-10-3
cas number: 112-65-2
cas number: 51426-08-5
cas number: 15880-99-6
cas number: 96923-04-5
notation: dodne
in scheme: Conceptschema Chemische Stoffen
formula: C15H33N3O2
pubchem: 17110
inchikey: YIKWKLYQRFRGPM-UHFFFAOYSA-N
broader: CHEMONTID_0000375
iupac name: acetic acid; 2-dodecylguanidine @en
inchi: InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)

cyclopentaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 9253
notation: ccC5a
formula: C5H10
cas number: 68476-56-2
cas number: 287-92-3
inchikey: RGSFGYAAUTVSQA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2
iupac name: Cyclopentane @en
smiles: C1CCCC1
broader: CHEMONTID_0001016

diaceton-L-sorbose
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: (4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl)methanol @en
smiles: CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)CO)C
pubchem: 140270
inchikey: GQXSDDHYUVYJCQ-UHFFFAOYSA-N
alternative label: diaceton-l-sorbose
inchi: InChI=1S/C12H20O6/c1-10(2)14-5-7-8(16-10)9-12(6-13,15-7)18-11(3,4)17-9/h7-9,13H,5-6H2,1-4H3
broader: CHEMONTID_0004472
cas number: 17682-70-1
in scheme: Conceptschema Chemische Stoffen
notation: DactLsbse
formula: C12H20O6

3,3-dichloor-1,1,1,2,2-pentafluorpropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 61112
inchikey: COAUHYBSXMIJDK-UHFFFAOYSA-N
iupac name: 3,3-DICHLORO-1,1,1,2,2-PENTAFLUOROPROPANE @en
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
cas number: 422-56-0
inchi: InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H
formula: C3HCl2F5
smiles: C(C(C(F)(F)F)(F)F)(Cl)Cl
notation: HCFK225ca

chlooramine-T
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000031
cas number: 72793-59-0
cas number: 1576-40-5
cas number: 127-65-1
cas number: 144-86-5
cas number: 75532-46-6
cas number: 8045-11-2
pubchem: 3641960
formula: C7H7ClNNaO2S
iupac name: ['sodium chloro-(4-methylphenyl)sulfonylazanide', 'sodium N-chloro-4-methylbenzenesulfonimidate'] @en
notation: ClAeT
inchikey: VDQQXEISLMTGAB-UHFFFAOYSA-N
alternative label: chlooramine-t
inchi: InChI=1S/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+]

fenthion
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidenephosphorane @en
inchikey: PNVJTZOFSHSLTO-UHFFFAOYSA-N
cas number: 55-38-9
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004748
inchi: InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3
formula: C10H15O3PS2
pubchem: 3346
smiles: CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC
notation: fenton

medroxyprogesteron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
inchikey: FRQMUZJSZHZSGN-HBNHAYAOSA-N
broader: CHEMONTID_0001468
cas number: 520-85-4
pubchem: 10631
formula: C22H32O3
iupac name: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one @en
in scheme: Conceptschema Chemische Stoffen
notation: medxprgtrn

ethyl ftalyl ethyl glycolaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 84-72-0
pubchem: 6785
iupac name: O1-(2-ethoxy-2-oxoethyl) O2-ethyl benzene-1,2-dicarboxylate @en
notation: C2yFtyC2ygcl
inchi: InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
formula: C14H16O6
broader: CHEMONTID_0001350
smiles: CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC
inchikey: PZBLUWVMZMXIKZ-UHFFFAOYSA-N

anthraceen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: C1=CC=C2C=C3C=CC=CC3=CC2=C1
notation: Ant
inchi: InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
alternative label: antraceen
cas number: 120-12-7
broader: CHEMONTID_0000018
formula: C14H10
iupac name: ANTHRACENE @en
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC VI 001
inchikey: MWPLVEDNUUSJAV-UHFFFAOYSA-N
pubchem: 8418

osalmid
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 4602
cas number: 526-18-1
in scheme: Conceptschema Chemische Stoffen
inchikey: LGCMKPRGGJRYGM-UHFFFAOYSA-N
smiles: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)O
broader: CHEMONTID_0004713
inchi: InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)
formula: C13H11NO3
iupac name: 2-Hydroxy-N-(4-hydroxyphenyl)benzamide @en
notation: osmd

4-(3,4-dihydro-2,2,4-trimethyl-2h-1-benzopyran-4-yl)fenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 122970-84-7
cas number: 122970-88-1
cas number: 472-41-3
cas number: 122970-82-5
cas number: 35485-38-2
cas number: 122970-86-9
cas number: 122970-81-4
cas number: 122970-85-8
cas number: 122970-87-0
cas number: 56954-97-3
cas number: 122970-83-6
in scheme: Conceptschema Chemische Stoffen
formula: C18H20O2
pubchem: 97788
broader: CHEMONTID_0002581
inchikey: KXYDGGNWZUHESZ-UHFFFAOYSA-N
notation: 434DH224TC1y
inchi: InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3
alternative label: 4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)fenol
iupac name: 4-(2,2,4-trimethylchroman-4-yl)phenol @en

3,3',4,5-tetrachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: PCB78
cas number: 70362-49-1
broader: CHEMONTID_0003030
iupac name: 1,2,3-trichloro-5-(3-chlorophenyl)benzene @en
formula: C12H6Cl4
inchikey: SXFLURRQRFKBNN-UHFFFAOYSA-N
pubchem: 63101
inchi: InChI=1S/C12H6Cl4/c13-9-3-1-2-7(4-9)8-5-10(14)12(16)11(15)6-8/h1-6H

2,6,10,14-tetramethylhexadecaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 2,6,10,14-TETRAMETHYLHEXADECANE @en
pubchem: 12523
smiles: CCC(C)CCCC(C)CCCC(C)CCCC(C)C
broader: CHEMONTID_0001357
formula: C20H42
cas number: 638-36-8
inchikey: GGYKPYDKXLHNTI-UHFFFAOYSA-N
inchi: InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3
in scheme: Conceptschema Chemische Stoffen
notation: 261014T4C102

1,4-butaandiol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 732189-03-6
cas number: 28324-25-6
cas number: 110-63-4
inchikey: WERYXYBDKMZEQL-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: Butane-1,4-diol @en
smiles: C(CCO)CO
formula: C4H10O2
inchi: InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
broader: CHEMONTID_0000286
notation: 14C4aDol
pubchem: 8064

undecaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1120-21-4
cas number: 61193-21-3
pubchem: 14257
broader: CHEMONTID_0002500
inchikey: RSJKGSCJYJTIGS-UHFFFAOYSA-N
notation: C11a
inchi: InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
smiles: CCCCCCCCCCC
iupac name: Undecane @en
formula: C11H24
in scheme: Conceptschema Chemische Stoffen

perfenazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000310
cas number: 58-39-9
notation: perfazne
inchikey: RGCVKNLCSQQDEP-UHFFFAOYSA-N
iupac name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol @en
inchi: InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
pubchem: 4748
in scheme: Conceptschema Chemische Stoffen
formula: C21H26ClN3OS

2-nitroaniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 2-Nitroaniline @en
smiles: C1=CC=C(C(=C1)N)[N+](=O)[O-]
inchi: InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000036
notation: 2NO2An
formula: C6H6N2O2
cas number: 88-74-4
pubchem: 6946
inchikey: DPJCXCZTLWNFOH-UHFFFAOYSA-N

5-methyldecaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
pubchem: 93071
iupac name: 5-Methyldecane @en
smiles: CCCCCC(C)CCCC
inchi: InChI=1S/C11H24/c1-4-6-8-10-11(3)9-7-5-2/h11H,4-10H2,1-3H3
notation: 5C1yC10a
inchikey: QUYFPNWYGLFQQU-UHFFFAOYSA-N
cas number: 13151-35-4
formula: C11H24

nabam
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: ethyleenbisdithiocarbamaat
cas number: 111-54-6
cas number: 142-59-6
broader: CHEMONTID_0004099
inchi: InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2
iupac name: disodium [2-(sulfidocarbothioylamino)ethylamino]methanedithioate @en
notation: C2yebDtocbmt
notation: nabm
in scheme: Conceptschema Chemische Stoffen
pubchem: 8891
inchikey: UQJQVUOTMVCFHX-UHFFFAOYSA-L
formula: C4H6N2Na2S4
smiles: C(CN=C(S)[S-])N=C(S)[S-].[Na+].[Na+]

2-aminobenzothiazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 120045-46-7
cas number: 35858-53-8
cas number: 136-95-8
inchikey: UHGULLIUJBCTEF-UHFFFAOYSA-N
pubchem: 8706
smiles: C1=CC=C2C(=C1)N=C(S2)N
formula: C7H6N2S
notation: 2Aobztzl
broader: CHEMONTID_0000311
inchi: InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
iupac name: 1,3-benzothiazol-2-amine @en
in scheme: Conceptschema Chemische Stoffen

dioctylftalaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 8346
inchi: InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
cas number: 117-84-0
cas number: 68515-43-5
cas number: 8031-29-6
inchikey: MQIUGAXCHLFZKX-UHFFFAOYSA-N
smiles: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
broader: CHEMONTID_0001350
notation: DC8yFt
formula: C24H38O4
alternative label: di-n-octylftalaat
iupac name: dioctyl benzene-1,2-dicarboxylate @en

sulfapyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
inchikey: GECHUMIMRBOMGK-UHFFFAOYSA-N
formula: C11H11N3O2S
iupac name: 4-amino-N-pyridin-2-ylbenzenesulfonamide @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 5336
smiles: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N
notation: sulfprdne
cas number: 144-83-2
broader: CHEMONTID_0001925

1,2-dibroomethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C2H4Br2
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 002
comment: VLAR II bijl. 4.4.2
iupac name: ['1,2-dibromoethyne', '1,2-Dibromoethane'] @en
smiles: C(CBr)Br
inchikey: PAAZPARNPHGIKF-UHFFFAOYSA-N
broader: CHEMONTID_0001515
inchi: InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2
cas number: 106-93-4
cas number: 624-61-3
cas number: 8003-07-4
notation: 12DBrC2a
in scheme: Conceptschema Chemische Stoffen
pubchem: 7839

boor
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 5462311
broader: CHEMONTID_0000431
cas number: 7440-42-8
notation: B
inchikey: ZOXJGFHDIHLPTG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: [B]
formula: B
inchi: InChI=1S/B
iupac name: Boron @en

nefazodone
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C25H32ClN5O2
inchi: InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
in scheme: Conceptschema Chemische Stoffen
inchikey: VRBKIVRKKCLPHA-UHFFFAOYSA-N
iupac name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-[2-(phenoxy)ethyl]-1,2,4-triazol-3-one @en
notation: nefzdne
broader: CHEMONTID_0001984
cas number: 83366-66-9
pubchem: 4449

hexamethyleentetramine (Urotropine)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 56549-34-9
cas number: 100-97-0
cas number: 15978-33-3
cas number: 24911-88-4
cas number: 74734-16-0
cas number: 11103-67-6
cas number: 91773-48-7
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane @en
formula: C6H12N4
inchikey: VKYKSIONXSXAKP-UHFFFAOYSA-N
notation: HxC1yeT4Ae
pubchem: 4101
inchi: InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
smiles: C1N2CN3CN1CN(C2)C3
broader: CHEMONTID_0002798

fentinacetaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: 0
cas number: 900-95-8
in scheme: Conceptschema Chemische Stoffen
iupac name: tri(phenyl)stannyl acetate @en
notation: fentactt
alternative label: trifenyltinacetaat
inchi: InChI=1S/3C6H5.C2H3O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3;
inchikey: KFSLACSYHBJOPS-UHFFFAOYSA-N
smiles: 0

prothiofos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 36870
formula: C11H15Cl2O2PS2
in scheme: Conceptschema Chemische Stoffen
cas number: 34643-46-4
cas number: 64772-54-9
inchikey: FITIWKDOCAUBQD-UHFFFAOYSA-N
smiles: CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl
notation: protofs
iupac name: (2,4-dichlorophenoxy)-ethoxy-propylsulfanyl-sulfanylidenephosphorane @en
broader: CHEMONTID_0002564

quinmerac
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 91749
smiles: CC1=CC2=C(C(=C(C=C2)Cl)C(=O)O)N=C1
iupac name: 7-Chloro-3-methylquinoline-8-carboxylic acid @en
in scheme: Conceptschema Chemische Stoffen
notation: quinmrc
inchikey: ALZOLUNSQWINIR-UHFFFAOYSA-N
inchi: InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)
broader: CHEMONTID_0002552
formula: C11H8ClNO2
cas number: 90717-03-6

brodifacum
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002044
in scheme: Conceptschema Chemische Stoffen
cas number: 56073-10-0
cas number: 80449-88-3
iupac name: 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxychromen-4-one @en
inchikey: LNDUTAIPEYOCDF-UHFFFAOYSA-N
pubchem: 41736
notation: brodfcm
formula: C31H23BrO3
inchi: InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2

2,6-dichlooraniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: C1=CC(=C(C(=C1)Cl)N)Cl
broader: CHEMONTID_0002564
inchi: InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
pubchem: 11846
formula: C6H5Cl2N
in scheme: Conceptschema Chemische Stoffen
cas number: 608-31-1
cas number: 51225-19-5
iupac name: 2,6-DICHLOROANILINE @en
inchikey: JDMFXJULNGEPOI-UHFFFAOYSA-N
notation: 26DClAn

methopreen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: ['propan-2-yl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate', 'propan-2-yl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate'] @en
smiles: CC(C)OC(=O)C=C(C)C=CCC(C)CCCC(C)(C)OC
cas number: 40596-69-8
cas number: 52020-07-2
cas number: 208035-61-4
cas number: 36557-27-4
cas number: 208035-62-5
cas number: 41205-06-5
cas number: 65733-16-6
cas number: 134678-54-9
in scheme: Conceptschema Chemische Stoffen
notation: metpn
pubchem: 5366546
inchi: InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+
inchikey: NFGXHKASABOEEW-LDRANXPESA-N
formula: C19H34O3
broader: CHEMONTID_0001550

indoxacarb (S-isomeer)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[3,2-e][1,3,4]oxadiazine-4a-carboxylate @en
alternative label: indoxacarb (s-isomeer)
in scheme: Conceptschema Chemische Stoffen
pubchem: 107720
cas number: 174060-41-4
cas number: 173584-44-6
notation: indxcb
broader: CHEMONTID_0004714
formula: C22H17ClF3N3O7
inchikey: VBCVPMMZEGZULK-NRFANRHFSA-N

imazalil
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C14H14Cl2N2O
pubchem: 37175
in scheme: Conceptschema Chemische Stoffen
cas number: 35554-44-0
smiles: C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
broader: CHEMONTID_0002542
notation: imzll
inchi: InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
iupac name: 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole @en
inchikey: PZBPKYOVPCNPJY-UHFFFAOYSA-N

cilazapril
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 88768-40-5
cas number: 92077-78-6
inchi: InChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1
notation: cilzpl
inchikey: JQRZBPFGBRIWSN-YOTVLOEGSA-N
iupac name: (1S,9S)-9-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid hydrate @en
in scheme: Conceptschema Chemische Stoffen
formula: C22H33N3O6
broader: CHEMONTID_0004830
pubchem: 56329

heptafluorpropyl 1,2,2,2-tetrafluorethylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C5HF11O/c6-1(2(7,8)9)17-5(15,16)3(10,11)4(12,13)14/h1H
smiles: C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
notation: F7C3yF4C2yEt
inchikey: CUTPKDUMZWIJKT-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane @en
cas number: 3330-15-2
formula: C5HF11O
pubchem: 94258
broader: CHEMONTID_0001517

2-ethylpyrazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1392-50-3
cas number: 13925-00-3
smiles: CCC1=NC=CN=C1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000067
inchi: InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
inchikey: KVFIJIWMDBAGDP-UHFFFAOYSA-N
pubchem: 26331
notation: 2C2yprzne
iupac name: 2-ETHYLPYRAZINE @en
formula: C6H8N2

triton X-100
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13463-07-5
cas number: 9077-65-0
cas number: 81398-86-9
cas number: 39409-11-5
cas number: 2315-67-5
cas number: 9010-43-9
cas number: 111287-03-7
cas number: 66057-82-7
cas number: 66057-69-0
cas number: 63869-93-2
cas number: 9010-42-8
cas number: 9002-93-1
cas number: 125692-92-4
cas number: 66057-68-9
notation: octxnl1
notation: tritx100
formula: C16H26O2
broader: CHEMONTID_0002811
iupac name: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol @en
inchikey: JYCQQPHGFMYQCF-UHFFFAOYSA-N
alternative label: triton x-100
alternative label: octoxynol-1
pubchem: 5590
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO
inchi: InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3

acetaldehyde
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0002230
inchikey: IKHGUXGNUITLKF-UHFFFAOYSA-N
smiles: CC=O
inchi: InChI=1S/C2H4O/c1-2-3/h2H,1H3
iupac name: acetaldehyde @en
formula: C2H4O
pubchem: 177
alternative label: ethanal
cas number: 75-07-0
notation: C2al
comment: VLAREM II bijlage 4.4.2
in scheme: Conceptschema Chemische Stoffen

cis-nonachloor
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: tNnCl
notation: cNnCl
alternative label: trans-nonachloor
cas number: 29555-44-0
cas number: 39765-80-5
cas number: 3734-49-4
cas number: 24143-69-9
cas number: 5103-73-1
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H
formula: C10H5Cl9
pubchem: 19520
broader: CHEMONTID_0002863
inchikey: OCHOKXCPKDPNQU-UHFFFAOYSA-N
iupac name: 1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene @en

C.I. Food Red 5
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: disodium (4E)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxonaphthalene-2,6-disulfonate @en
inchi: InChI=1S/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-14-9-13(28(22,23)24)5-4-12(14)8-16(18(17)21)29(25,26)27;;/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-17+;;
alternative label: c.i. food red 5
inchikey: OIQRYZXXBZHDRY-NNIZZXHBSA-L
cas number: 7481-49-4
cas number: 64553-71-5
cas number: 3761-53-3
in scheme: Conceptschema Chemische Stoffen
formula: C18H14N2Na2O7S2
notation: cifrd5
pubchem: 6321395

hydrazinesulfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 10034-93-2
cas number: 13464-80-7
cas number: 1184-66-3
cas number: 95416-15-2
pubchem: 24842
inchi: InChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)
in scheme: Conceptschema Chemische Stoffen
iupac name: hydrazine; sulfuric acid @en
smiles: NN.OS(=O)(=O)O
inchikey: ZGCHATBSUIJLRL-UHFFFAOYSA-N
formula: H6N2O4S
notation: hydznSO4
broader: CHEMONTID_0001077

1,2-propyleenglycol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C3H8O2
cas number: 4254-16-4
cas number: 4254-15-3
cas number: 190913-75-8
cas number: 57-55-6
cas number: 63625-56-9
pubchem: 1030
iupac name: PROPANE-1,2-DIOL @en
smiles: CC(CO)O
inchikey: DNIAPMSPPWPWGF-UHFFFAOYSA-N
broader: CHEMONTID_0002467
notation: 12C3yegcl
inchi: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3

pentatriacontaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: C35a
inchikey: VHQQPFLOGSTQPC-UHFFFAOYSA-N
formula: C35H72
pubchem: 12413
iupac name: Pentatriacontane @en
cas number: 630-07-9
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

chloorthal-dimethyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 87209-56-1
cas number: 65862-98-8
cas number: 1861-32-1
iupac name: Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate @en
formula: C10H6Cl4O4
inchi: InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3
broader: CHEMONTID_0004012
pubchem: 2943
inchikey: NPOJQCVWMSKXDN-UHFFFAOYSA-N
notation: cltDC1y
in scheme: Conceptschema Chemische Stoffen

1,3,5-tribroom-2-(2,3-dibroom-2-methylpropoxy)benzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 36065-30-2
smiles: CC(COC1=C(C=C(C=C1Br)Br)Br)(CBr)Br
notation: 135TBr223DBr
pubchem: 118274
inchi: InChI=1S/C10H9Br5O/c1-10(15,4-11)5-16-9-7(13)2-6(12)3-8(9)14/h2-3H,4-5H2,1H3
formula: C10H9Br5O
iupac name: 1,3,5-Tribromo-2-(2,3-dibromo-2-methylpropoxy)benzene @en
inchikey: WNMLTOIDDCEBNY-UHFFFAOYSA-N
broader: CHEMONTID_0002341

fosalon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 2310-17-0
cas number: 29562-46-7
cas number: 54182-71-7
cas number: 11129-09-2
formula: C12H15ClNO4PS2
inchikey: IOUNQDKNJZEDEP-UHFFFAOYSA-N
broader: CHEMONTID_0001973
notation: fosln
pubchem: 4793
smiles: CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O
iupac name: 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one @en

2-butanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: BTANRVKWQNVYAZ-UHFFFAOYSA-N
inchi: InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
is referenced by: LUC IV 009
is referenced by: LUC IV 000
is referenced by: LUC IV 012
iupac name: Butan-2-ol @en
smiles: CCC(C)O
cas number: 4221-99-2
cas number: 15892-23-6
cas number: 78-92-2
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
in scheme: Conceptschema Chemische Stoffen
alternative label: s-butanol
notation: 2C4ol
broader: CHEMONTID_0001661
formula: C4H10O
pubchem: 6568

carpropamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001099
iupac name: 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide @en
formula: C15H18Cl3NO
inchikey: RXDMAYSSBPYBFW-UHFFFAOYSA-N
pubchem: 153847
inchi: InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)
cas number: 104030-54-8
notation: carppAd

spirodiclofen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 148477-71-8
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: spirdcfn
inchi: InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3
inchikey: DTDSAWVUFPGDMX-UHFFFAOYSA-N
formula: C21H24Cl2O4
pubchem: 177863
iupac name: [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate @en

diclobutrazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 75432-64-3
cas number: 66345-62-8
cas number: 75736-33-3
cas number: 83940-00-5
inchikey: URDNHJIVMYZFRT-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol @en
formula: C15H19Cl2N3O
inchi: InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3
pubchem: 53309
notation: Dcbtzl
broader: CHEMONTID_0000188

chloorsulfuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 64902-72-3
cas number: 79793-04-7
cas number: 112143-77-8
iupac name: 1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea @en
notation: Clsfrn
broader: CHEMONTID_0004706
inchikey: VJYIFXVZLXQVHO-UHFFFAOYSA-N
pubchem: 47491
formula: C12H12ClN5O4S

6-chloor-2,4-dinitroaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3531-19-9
in scheme: Conceptschema Chemische Stoffen
notation: 6Cl24DNO2An
formula: C6H4ClN3O4
broader: CHEMONTID_0003968
iupac name: 2-Chloro-4,6-dinitroaniline @en
inchikey: LHRIICYSGQGXSX-UHFFFAOYSA-N
inchi: InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2
pubchem: 19052
smiles: C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)[N+](=O)[O-]

bifenazaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 149877-41-8
inchi: InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)
in scheme: Conceptschema Chemische Stoffen
formula: C17H20N2O3
pubchem: 176879
inchikey: VHLKTXFWDRXILV-UHFFFAOYSA-N
broader: CHEMONTID_0000041
notation: bifnzt
iupac name: propan-2-yl N-[(2-methoxy-5-phenylphenyl)amino]carbamate @en

methylkwik
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 22967-92-6
smiles: C[Hg+]
inchi: InChI=1S/CH3.Hg/h1H3;/q;+1
formula: CH3Hg+
pubchem: 6860
notation: C1yHg
in scheme: Conceptschema Chemische Stoffen
inchikey: DBUXSCUEGJMZAE-UHFFFAOYSA-N
broader: CHEMONTID_0004443
iupac name: Methylmercury @en

2,5-xylidine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004211
inchikey: VOWZNBNDMFLQGM-UHFFFAOYSA-N
pubchem: 7259
smiles: CC1=CC(=C(C=C1)C)N
notation: 25xyldne
iupac name: 2,5-Dimethylaniline @en
cas number: 95-78-3

oxypurinol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: HXNFUBHNUDHIGC-UHFFFAOYSA-N
formula: C5H4N4O2
pubchem: 4644
notation: Oxprnl
smiles: C1=C2C(=NC(=O)NC2=O)NN1
inchi: InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000247
cas number: 2465-59-0
iupac name: 1,2-dihydropyrazolo[4,3-e]pyrimidine-4,6-dione @en

deuterium oxide (zwaar water)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 24602
inchikey: XLYOFNOQVPJJNP-ZSJDYOACSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 156428-50-1
cas number: 39388-36-8
cas number: 7789-20-0
broader: CHEMONTID_0000434
formula: H2O
smiles: O
iupac name: deuterated water @en
notation: D2O
inchi: InChI=1S/H2O/h1H2/i/hD2

2,3,6-trimethylheptaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 4032-93-3
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,3,6-TRIMETHYLHEPTANE @en
broader: CHEMONTID_0004620
inchikey: IHPXJGBVRWFEJB-UHFFFAOYSA-N
pubchem: 19944
notation: 236TC1yC7a
inchi: InChI=1S/C10H22/c1-8(2)6-7-10(5)9(3)4/h8-10H,6-7H2,1-5H3
formula: C10H22
smiles: CC(C)CCC(C)C(C)C

tricosaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 93966-37-1
cas number: 98978-62-2
cas number: 2433-96-7
cas number: 94087-10-2
smiles: CCCCCCCCCCCCCCCCCCCCCCC(=O)O
inchikey: XEZVDURJDFGERA-UHFFFAOYSA-N
formula: C23H46O2
broader: CHEMONTID_0002950
notation: C23azr
iupac name: TRICOSANOIC ACID @en
pubchem: 17085
in scheme: Conceptschema Chemische Stoffen

metiram
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: zinc [2-(sulfidocarbothioylamino)ethylamino]methanedithioate @en
notation: metrm
notation: zinb
inchi: InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2
smiles: C(CN=C(S)[S-])N=C(S)[S-].[Zn+2]
broader: CHEMONTID_0004306
cas number: 9006-42-2
cas number: 12122-67-7
alternative label: zineb
in scheme: Conceptschema Chemische Stoffen
inchikey: AMHNZOICSMBGDH-UHFFFAOYSA-L
pubchem: 8873
formula: C4H6N2S4Zn

17-beta-estradiol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 5757
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
inchikey: VOXZDWNPVJITMN-ZBRFXRBCSA-N
alternative label: 17beta-estradiol
in scheme: Conceptschema Chemische Stoffen
notation: 17bestDol
broader: CHEMONTID_0003570
cas number: 50-28-2
cas number: 73459-61-7
iupac name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol @en
smiles: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

natrium-ortho-fenylfenaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1
inchikey: KSQXVLVXUFHGJQ-UHFFFAOYSA-M
pubchem: 8587
formula: C12H9NaO
cas number: 132-27-4
cas number: 6152-33-6
in scheme: Conceptschema Chemische Stoffen
iupac name: sodium 2-phenylphenolate @en
broader: CHEMONTID_0000041
notation: NaoFyfnt
smiles: C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+]

1-methyl-4-(4-methylbenzeensulfonyl) benzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 599-66-6
iupac name: 1-methyl-4-(4-methylphenyl)sulfonylbenzene @en
inchikey: WEAYCYAIVOIUMG-UHFFFAOYSA-N
broader: CHEMONTID_0003276
formula: C14H14O2S
pubchem: 69030
smiles: CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C
inchi: InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
notation: 1C1y44C1yBen
in scheme: Conceptschema Chemische Stoffen

2,2',3,3',4,4',5-heptachloorbifenyl (pcb170)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene @en
cas number: 35065-30-6
alternative label: 2,2',3,3',4,4',5-heptachloorbifenyl
inchikey: RMPWIIKNWPVWNG-UHFFFAOYSA-N
formula: C12H3Cl7
pubchem: 37037
notation: PCB170
broader: CHEMONTID_0003030
inchi: InChI=1S/C12H3Cl7/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)11(18)12(19)9(5)16/h1-3H

desmetryn
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC(C)NC1=NC(=NC(=N1)NC)SC
notation: desmtn
broader: CHEMONTID_0004735
inchikey: HCRWJJJUKUVORR-UHFFFAOYSA-N
inchi: InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)
pubchem: 13904
in scheme: Conceptschema Chemische Stoffen
formula: C8H15N5S
cas number: 1014-69-3
iupac name: N'-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en

bde 100
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
alternative label: 2,2',4,4',6-pentabroomdifenylether (bde100)
alternative label: 2,2',4,4',6-pentabroomdifenylether
iupac name: 1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene @en
inchikey: NSKIRYMHNFTRLR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 189084-64-8
inchi: InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H
pubchem: 154083
formula: C12H5Br5O
broader: CHEMONTID_0001845
notation: PBDE100

2,3-dichloorpropeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C3H4Cl2
inchikey: FALCMQXTWHPRIH-UHFFFAOYSA-N
pubchem: 6565
smiles: C=C(CCl)Cl
broader: CHEMONTID_0002863
notation: 23DClC3e
inchi: InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,3-dichloroprop-1-ene @en
cas number: 78-88-6

prothioconazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: protocnzl
broader: CHEMONTID_0001099
pubchem: 6451142
formula: C14H15Cl2N3OS
iupac name: 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione @en
cas number: 178928-70-6
inchikey: MNHVNIJQQRJYDH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

lutetium 177
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: Lu
in scheme: Conceptschema Chemische Stoffen
pubchem: 161046
iupac name: lutetium-177 @en
inchikey: OHSVLFRHMCKCQY-NJFSPNSNSA-N
cas number: 14265-75-9
smiles: [Lu]
broader: CHEMONTID_0000429
inchi: InChI=1S/Lu/i1+2
notation: Lu177

n-ethylperfluor-n-octaansulfonamido-azijnzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: EtPFOSAA
notation: EtFOSAA
cas number: 1336-61-4
cas number: 2991-50-6
alternative label: perfluoroctaansulfonylamide(N-ethyl)azijnzuur
alternative label: N-ethylperfluoroctaansulfonamido-azijnzuur
alternative label: n-ethylperfluoroctaansulfonamidoazijnzuur
alternative label: n-ethylperfluor-n-octaansulfonamido-azijnzuur (etpfosaa)
iupac name: 2-(ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino)acetic acid @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)
broader: CHEMONTID_0003960
pubchem: 18134
formula: C12H8F17NO4S
inchikey: CKRXVVGETMYFIO-UHFFFAOYSA-N

1-(2-butoxyethoxy)-ethanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCCCOCCOC(C)O
notation: 12C4oxC2oxC2
cas number: 54446-78-5
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H18O3/c1-3-4-5-10-6-7-11-8(2)9/h8-9H,3-7H2,1-2H3
pubchem: 41088
formula: C8H18O3
inchikey: ZNQOETZUGRUONW-UHFFFAOYSA-N
broader: CHEMONTID_0001092
iupac name: 1-(2-BUTOXYETHOXY)ETHANOL @en

bismuth 206
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 6336623
inchikey: JCXGWMGPZLAOME-OIOBTWANSA-N
iupac name: bismuth-206 @en
broader: CHEMONTID_0000427
cas number: 15776-19-9
formula: Bi
inchi: InChI=1S/Bi/i1-3
in scheme: Conceptschema Chemische Stoffen
smiles: [Bi]
notation: Bi206

nicotine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine @en
inchikey: SNICXCGAKADSCV-JTQLQIEISA-N
inchi: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
formula: C10H14N2
smiles: CN1CCCC1C2=CN=CC=C2
in scheme: Conceptschema Chemische Stoffen
notation: nictne
broader: CHEMONTID_0001975
cas number: 54-11-5
pubchem: 89594

butylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: C4yat
pubchem: 16181
smiles: CCSC(=O)N(CC(C)C)CC(C)C
inchi: InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3
inchikey: BMTAFVWTTFSTOG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 2008-41-5
iupac name: S-ethyl (bis(2-methylpropyl)amino)methanethioate @en
broader: CHEMONTID_0001368
formula: C11H23NOS

flupentixol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: NJMYODHXAKYRHW-DVZOWYKESA-N
formula: C23H25F3N2OS
inchi: InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-
notation: fluptxl
cas number: 2709-56-0
cas number: 53772-82-0
pubchem: 5281881
broader: CHEMONTID_0000199
iupac name: 2-[4-[(3Z)-3-[2-(Trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol @en
in scheme: Conceptschema Chemische Stoffen

chloormethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: NEHMKBQYUWJMIP-UHFFFAOYSA-N
formula: CH3Cl
broader: CHEMONTID_0004157
iupac name: Chloromethane @en
inchi: InChI=1S/CH3Cl/c1-2/h1H3
cas number: 2108-20-5
cas number: 74-87-3
pubchem: 6327
notation: ClC1a
smiles: CCl
in scheme: Conceptschema Chemische Stoffen

hydroxyzine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol @en
notation: Hoxzne
pubchem: 3658
inchi: InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2
formula: C21H27ClN2O2
in scheme: Conceptschema Chemische Stoffen
inchikey: ZQDWXGKKHFNSQK-UHFFFAOYSA-N
cas number: 68-88-2
broader: CHEMONTID_0000369

fytol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: fytl
cas number: 5016-81-9
cas number: 7541-49-3
cas number: 150-86-7
pubchem: 5280435
broader: CHEMONTID_0001357
formula: C20H40O
smiles: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
inchi: InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
iupac name: (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol @en
inchikey: BOTWFXYSPFMFNR-PYDDKJGSSA-N

lood 212
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 18879-28-2
cas number: 15092-94-1
formula: Pb
broader: CHEMONTID_0000427
notation: Pb212
smiles: [Pb]
iupac name: lead-212 @en
inchi: InChI=1S/Pb/i1+5
inchikey: WABPQHHGFIMREM-BKFZFHPZSA-N
pubchem: 6335491
in scheme: Conceptschema Chemische Stoffen

mepronil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C17H19NO2
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C
broader: CHEMONTID_0004713
notation: mepnl
pubchem: 41632
iupac name: 2-methyl-N-(3-propan-2-yloxyphenyl)benzamide @en
inchikey: BCTQJXQXJVLSIG-UHFFFAOYSA-N
cas number: 55814-41-0
inchi: InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)

dinatriumoctaboraat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 12008-41-2
cas number: 12280-03-4
inchi: InChI=1S/8BO3.2Na.4H2O/c8*2-1(3)4;;;;;;/h;;;;;;;;;;4*1H2/q8*-3;2*+1;;;;
inchikey: RHSGYAYYVYMXIF-UHFFFAOYSA-N
iupac name: Disodium octaborate tetrahydrate @en
notation: Na2B8O13
broader: CHEMONTID_0000895
pubchem: 16204498
in scheme: Conceptschema Chemische Stoffen
formula: B8H8Na2O28-22
smiles: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].O.O.O.O.[Na+].[Na+]

2,4-xylenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 7771
in scheme: Conceptschema Chemische Stoffen
notation: 24DC1yFol
inchikey: KUFFULVDNCHOFZ-UHFFFAOYSA-N
inchi: InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
comment: VLAREM II bijlage 4.4.2
formula: C8H10O
smiles: CC1=CC(=C(C=C1)O)C
iupac name: 2,4-Dimethylphenol @en
broader: CHEMONTID_0004212
cas number: 105-67-9
alternative label: 2,4-dimethylfenol

mesityloxide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 4-Methylpent-3-en-2-one @en
notation: mestoxde
pubchem: 8858
formula: C6H10O
broader: CHEMONTID_0001363
smiles: CC(=CC(=O)C)C
inchi: InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
cas number: 141-79-7
inchikey: SHOJXDKTYKFBRD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

natriumaluminaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: IYJYQHRNMMNLRH-UHFFFAOYSA-N
cas number: 162264-71-3
cas number: 7758-17-0
cas number: 12393-50-9
cas number: 12598-12-8
cas number: 180395-80-6
cas number: 1302-42-7
cas number: 11138-49-1
notation: Naalmnt
pubchem: 14766
iupac name: sodium;dioxoalumanuide @en
smiles: O=[Al-]=O.[Na+]
broader: CHEMONTID_0000530
in scheme: Conceptschema Chemische Stoffen
formula: AlNaO2
inchi: InChI=1S/Al.Na.2O/q-1;+1;;

trichlofenidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 53720-80-2
inchikey: NFQIYHPAGNZAOO-UHFFFAOYSA-N
iupac name: 1,3-Bis(3-chlorophenyl)-2-(trichloromethyl)imidazolidine @en
inchi: InChI=1S/C16H13Cl5N2/c17-11-3-1-5-13(9-11)22-7-8-23(15(22)16(19,20)21)14-6-2-4-12(18)10-14/h1-6,9-10,15H,7-8H2
broader: CHEMONTID_0002547
pubchem: 93289
notation: Tcfndne
in scheme: Conceptschema Chemische Stoffen
formula: C16H13Cl5N2

2,6-difluorbenzamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 87439
cas number: 18063-03-1
inchi: InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003098
inchikey: AVRQBXVUUXHRMY-UHFFFAOYSA-N
formula: C7H5F2NO
iupac name: 2,6-Difluorobenzamide @en
smiles: C1=CC(=C(C(=C1)F)C(=O)N)F
notation: 26DFBenAd

limoneen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: XMGQYMWWDOXHJM-UHFFFAOYSA-N
cas number: 7705-14-8
cas number: 7721-11-1
cas number: 65996-98-7
cas number: 6876-12-6
cas number: 8022-90-0
cas number: 9003-73-0
cas number: 8050-32-6
cas number: 7705-13-7
cas number: 138-86-3
cas number: 555-08-8
cas number: 68246-90-2
cas number: 26123-39-7
cas number: 95327-98-3
in scheme: Conceptschema Chemische Stoffen
formula: C10H16
inchi: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
smiles: CC1=CCC(CC1)C(=C)C
iupac name: 1-methyl-4-prop-1-en-2-ylcyclohexene @en
broader: CHEMONTID_0001401
pubchem: 22311
notation: limnn

clomipramine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: GDLIGKIOYRNHDA-UHFFFAOYSA-N
iupac name: 3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine @en
smiles: CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
pubchem: 2801
cas number: 83162-38-3
cas number: 303-49-1
inchi: InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
formula: C19H23ClN2
in scheme: Conceptschema Chemische Stoffen
notation: clompmne
broader: CHEMONTID_0000320

2,2'-dichloordiisopropyl ether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC(CCl)OC(C)CCl
formula: C6H12Cl2O
alternative label: 2,2'-Dichloordiisopropyl ether
alternative label: bis-(2-chloorisopropyl)-ether
in scheme: Conceptschema Chemische Stoffen
cas number: 52438-91-2
cas number: 108-60-1
iupac name: 1-chloro-2-(1-chloropropan-2-yloxy)propane @en
inchikey: QCFYJCYNJLBDRT-UHFFFAOYSA-N
inchi: InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3
notation: DClDiC3yEtr
pubchem: 7944
broader: CHEMONTID_0001167

propaansulton
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: oxathiolane 2,2-dioxide @en
inchikey: FSSPGSAQUIYDCN-UHFFFAOYSA-N
pubchem: 14264
smiles: C1COS(=O)(=O)C1
cas number: 1120-71-4
formula: C3H6O3S
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2
broader: CHEMONTID_0001888
notation: C3astn

methiocarbsulfoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: metocbSO
in scheme: Conceptschema Chemische Stoffen
iupac name: (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate @en
broader: CHEMONTID_0004640
smiles: CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC
inchikey: FNCMBMZOZQAWJA-UHFFFAOYSA-N
cas number: 2635-10-1
pubchem: 17521
inchi: InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
formula: C11H15NO3S

methylhydrazine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 6061
formula: CH6N2
notation: C1yhdzne
broader: CHEMONTID_0004511
cas number: 60-34-4
smiles: CNN
inchi: InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3
inchikey: HDZGCSFEDULWCS-UHFFFAOYSA-N
iupac name: METHYLHYDRAZINE @en

tris(2,3-dibroompropyl)fosfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: ['tris(2,3-dibromopropoxy)-hydroxyphosphanium', 'Tris(2,3-dibromopropyl) phosphate'] @en
cas number: 126-72-7
cas number: 1867-14-7
cas number: 55962-48-6
cas number: 68112-30-1
broader: CHEMONTID_0003460
notation: tris23DBrC3y
inchi: InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2
formula: C9H15Br6O4P
pubchem: 31356
smiles: C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br
inchikey: PQYJRMFWJJONBO-UHFFFAOYSA-N

waterstofcarbonaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: BVKZGUZCCUSVTD-UHFFFAOYSA-M
iupac name: hydrogen carbonate @en
inchi: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
broader: CHEMONTID_0001521
in scheme: Conceptschema Chemische Stoffen
smiles: C(=O)(O)[O-]
cas number: 71-52-3
notation: HCO3
formula: CHO3-
pubchem: 769

cyclopenta(cd)pyreen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: cycPecdPyr
formula: C18H10
broader: CHEMONTID_0001851
in scheme: Conceptschema Chemische Stoffen
pubchem: 33743
inchikey: BZCXQYVNASLLQO-UHFFFAOYSA-N
inchi: InChI=1S/C18H10/c1-2-11-4-6-13-7-5-12-8-9-15-10-14(3-1)16(11)18(13)17(12)15/h1-10H
iupac name: pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaene @en
cas number: 27208-37-3

hexythiazox
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: (4S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide @en
broader: CHEMONTID_0001099
cas number: 78587-05-0
formula: C17H21ClN2O2S
notation: hextazx
pubchem: 73673
in scheme: Conceptschema Chemische Stoffen
inchikey: XGWIJUOSCAQSSV-VPHXOMNUSA-N

4,6-dinitro-o-cresol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3
iupac name: 2-Methyl-4,6-dinitrophenol @en
cas number: 534-52-1
cas number: 53240-95-2
cas number: 37359-43-6
cas number: 8071-51-0
cas number: 8068-73-3
in scheme: Conceptschema Chemische Stoffen
inchikey: ZXVONLUNISGICL-UHFFFAOYSA-N
smiles: CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]
formula: C7H6N2O5
pubchem: 10800
notation: DNOC
broader: CHEMONTID_0004505

methyl o-acetylricinoleaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C21H38O4
notation: C1yOactrcnla
pubchem: 5282107
alternative label: methyl O-acetylricinoleaat
iupac name: methyl (Z)-12-acetyloxyoctadec-9-enoate @en
inchikey: CMOYPQWMTBSLJK-KAMYIIQDSA-N
inchi: InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-
in scheme: Conceptschema Chemische Stoffen
cas number: 140-03-4
smiles: CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(=O)C
broader: CHEMONTID_0001722

terbium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: Tb
iupac name: TERBIUM @en
formula: Tb
broader: CHEMONTID_0000429
pubchem: 23958
smiles: [Tb]
inchi: InChI=1S/Tb
cas number: 7440-27-9
cas number: 110424-82-3
in scheme: Conceptschema Chemische Stoffen
inchikey: GZCRRIHWUXGPOV-UHFFFAOYSA-N

2,4-diaminotoluene
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CC1=C(C=C(C=C1)N)N
cas number: 12236-56-5
cas number: 95-80-7
cas number: 85898-88-0
cas number: 71111-07-4
in scheme: Conceptschema Chemische Stoffen
formula: C7H10N2
inchi: InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3
inchikey: VOZKAJLKRJDJLL-UHFFFAOYSA-N
alternative label: 2,4-diaminotolueen
broader: CHEMONTID_0003965
pubchem: 7261
notation: 24DAoTol
iupac name: 4-methylbenzene-1,3-diamine @en

4,4'-dibroombifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 92-86-4
iupac name: 1-bromo-4-(4-bromophenyl)benzene @en
notation: PBB15
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
pubchem: 7110
inchikey: HQJQYILBCQPYBI-UHFFFAOYSA-N
formula: C12H8Br2
smiles: C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br
broader: CHEMONTID_0003954

triethylfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: ['triethoxy-hydroxyphosphanium', 'Triethyl phosphate'] @en
inchi: InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
smiles: CCOP(=O)(OCC)OCC
broader: CHEMONTID_0003460
formula: C6H15O4P
in scheme: Conceptschema Chemische Stoffen
notation: TC2yPO4
cas number: 78-40-0
inchikey: DQWPFSLDHJDLRL-UHFFFAOYSA-N
pubchem: 6535

paclobutrazol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 77108-06-6
cas number: 66346-04-1
cas number: 76738-62-0
inchikey: GHGCUYKTGPFCTK-LZOIJMLOSA-N
in scheme: Conceptschema Chemische Stoffen
notation: pacbtzl
inchi: InChI=1S/2C15H20ClN3O/c2*1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h2*4-7,9-10,13-14,20H,8H2,1-3H3/t2*13?,14-/m10/s1
iupac name: (3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol; (3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol @en
pubchem: 6436297
formula: C30H40Cl2N6O2
broader: CHEMONTID_0000188

trans-1,2-dibroometheen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: UWTUEMKLYAGTNQ-UPHRSURJSA-N
iupac name: (Z)-1,2-dibromoethene @en
pubchem: 643776
in scheme: Conceptschema Chemische Stoffen
formula: C2H2Br2
smiles: C(=CBr)Br
alternative label: som 1,2-dibroometheen (som cis- en trans-)
broader: CHEMONTID_0002864
notation: t12DBrC2e
notation: s12DBrC2e
cas number: 590-11-4
cas number: 540-49-8
inchi: InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1-

icaridin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: icrdn
formula: C12H23NO3
cas number: 119515-38-7
cas number: 658051-75-3
smiles: CCC(C)OC(=O)N1CCCCC1CCO
iupac name: butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate @en
inchi: InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3
pubchem: 125098
broader: CHEMONTID_0002411
in scheme: Conceptschema Chemische Stoffen
inchikey: QLHULAHOXSSASE-UHFFFAOYSA-N

1,3-butadieen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 106-99-0
cas number: 68514-37-4
cas number: 68441-48-5
cas number: 130983-70-9
cas number: 25339-57-5
smiles: C=CC=C
formula: C4H6
broader: CHEMONTID_0001019
iupac name: Buta-1,3-diene @en
inchi: InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
inchikey: KAKZBPTYRLMSJV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 7845
comment: VLAREM II bijlage 4.4.2
notation: 13butDen

thifensulfuron-methyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002017
inchikey: AHTPATJNIAFOLR-UHFFFAOYSA-N
formula: C12H13N5O6S2
inchi: InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)
cas number: 79277-27-3
notation: thifsfrnC1y
in scheme: Conceptschema Chemische Stoffen
pubchem: 73674
iupac name: methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate @en

vernolaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: S-propyl (dipropylamino)methanethioate @en
inchikey: OKUGPJPKMAEJOE-UHFFFAOYSA-N
cas number: 1929-77-7
in scheme: Conceptschema Chemische Stoffen
notation: vernlt
broader: CHEMONTID_0001368
formula: C10H21NOS
smiles: CCCN(CCC)C(=O)SCCC
inchi: InChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3
pubchem: 16003

gibberellinezuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16?,17+,18+,19-/m1/s1
broader: CHEMONTID_0004013
cas number: 77-06-5
iupac name: (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid @en
notation: gebbrlnzr
pubchem: 439551
formula: C19H22O6
inchikey: IXORZMNAPKEEDV-QTWFBFKQSA-N

2-chloor-5-methyl-pyridine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 18368-64-4
pubchem: 581393
iupac name: 2-Chloro-5-methylpyridine @en
broader: CHEMONTID_0004532
inchikey: VXLYOURCUVQYLN-UHFFFAOYSA-N
notation: 2Cl5C1yprdne
smiles: CC1=CN=C(C=C1)Cl
inchi: InChI=1S/C6H6ClN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
formula: C6H6ClN
in scheme: Conceptschema Chemische Stoffen

glyceroltriacetaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
pubchem: 5541
in scheme: Conceptschema Chemische Stoffen
formula: C9H14O6
inchikey: URAYPUMNDPQOKB-UHFFFAOYSA-N
broader: CHEMONTID_0001135
notation: glycrTactt
iupac name: 1,3-diacetyloxypropan-2-yl acetate @en
smiles: CC(=O)OCC(COC(=O)C)OC(=O)C
cas number: 102-76-1

butralin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 33629-47-9
cas number: 12676-07-2
smiles: CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]
broader: CHEMONTID_0003968
notation: butln
formula: C14H21N3O4
pubchem: 36565
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3
inchikey: SPNQRCTZKIBOAX-UHFFFAOYSA-N
iupac name: N-butan-2-yl-4-tert-butyl-2,6-dinitroaniline @en

microcystine-LY
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C52H71N7O13
notation: MC-LY
alternative label: microcystine-ly
cas number: 123304-10-9
iupac name: 15-[(4-hydroxyphenyl)methyl]-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid @en
broader: CHEMONTID_0002010
pubchem: 6440826
inchikey: SIGQAYSWORHPPH-GFXLLRAPSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16-,29-25+

1-fenyl-1-penteen-3-on
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCC(=O)C=CC1=CC=CC=C1
cas number: 3152-68-9
cas number: 18402-88-5
inchi: InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
inchikey: LVGUHATVVHIJET-CMDGGOBGSA-N
notation: 1Fy1C5e3on
broader: CHEMONTID_0000037
iupac name: ['(E)-1-phenylpent-1-en-3-one', '1-Phenylpent-1-en-3-one'] @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 5354490
formula: C11H12O

methyl-acrylonitril
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000362
inchi: InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3
notation: C1yaclntl
iupac name: 2-methylprop-2-enenitrile @en
inchikey: GYCMBHHDWRMZGG-UHFFFAOYSA-N
cas number: 126-98-7
cas number: 25067-61-2
pubchem: 31368
in scheme: Conceptschema Chemische Stoffen
smiles: CC(=C)C#N
formula: C4H5N

prothiocarb
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: NMFAMPYSJHIYMR-UHFFFAOYSA-N
pubchem: 29696
iupac name: 3-(ethylsulfanylcarbonylamino)propyl-dimethylazanium chloride @en
broader: CHEMONTID_0001368
notation: protocHCl
notation: protocb
in scheme: Conceptschema Chemische Stoffen
cas number: 19622-08-3
cas number: 19622-19-6
formula: C8H19ClN2OS
alternative label: prothiocarb hydrochloride
smiles: CCSC(=O)NCCC[NH+](C)C.[Cl-]
inchi: InChI=1S/C8H18N2OS.ClH/c1-4-12-8(11)9-6-5-7-10(2)3;/h4-7H2,1-3H3,(H,9,11);1H

methylpropylaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0003416
pubchem: 11124
inchikey: RJUFJBKOKNCXHH-UHFFFAOYSA-N
smiles: CCC(=O)OC
in scheme: Conceptschema Chemische Stoffen
notation: C1yC3yat
iupac name: Methyl propanoate @en
inchi: InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
cas number: 554-12-1
formula: C4H8O2

3,5-dichlooraniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 12281
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564
notation: 35DClAn
iupac name: 3,5-DICHLOROANILINE @en
smiles: C1=C(C=C(C=C1Cl)Cl)N
formula: C6H5Cl2N
inchikey: UQRLKWGPEVNVHT-UHFFFAOYSA-N
cas number: 626-43-7
inchi: InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2

prallethrin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: (2-methyl-4-oxo-3-prop-2-ynyl-1-cyclopent-2-enyl) (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
pubchem: 31621
inchi: InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3/t14-,16?,17+/m0/s1
cas number: 23031-36-9
formula: C19H24O3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001461
inchikey: SMKRKQBMYOFFMU-DRXWIORDSA-N
notation: pralltn

kresoxim-methyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 6112114
cas number: 143390-89-0
notation: kresOxmC1y
smiles: CC1=CC=CC=C1OCC2=CC=CC=C2C(=NOC)C(=O)OC
broader: CHEMONTID_0002341
inchi: InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+
in scheme: Conceptschema Chemische Stoffen
formula: C18H19NO4
iupac name: methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate @en
inchikey: ZOTBXTZVPHCKPN-HTXNQAPBSA-N

2,4-dichloornitrobenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: QUIMTLZDMCNYGY-UHFFFAOYSA-N
notation: 24DClNO2Ben
iupac name: 2,4-Dichloro-1-nitrobenzene @en
pubchem: 11899
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
smiles: C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-]
formula: C6H3Cl2NO2
broader: CHEMONTID_0000036
cas number: 611-06-3

ethyleenthioureum
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000250
inchikey: PDQAZBWRQCGBEV-UHFFFAOYSA-N
iupac name: imidazolidine-2-thione @en
cas number: 96-45-7
cas number: 26856-29-1
cas number: 90613-75-5
cas number: 71836-04-9
cas number: 12261-94-8
cas number: 96-46-8
notation: C2yetourum
formula: C3H6N2S
pubchem: 7300
smiles: C1CN=C(N1)S
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)

pentachloorbenzeenthiol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: PeClBentol
inchikey: LLMLGZUZTFMXSA-UHFFFAOYSA-N
cas number: 133-49-3
in scheme: Conceptschema Chemische Stoffen
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S
formula: C6HCl5S
inchi: InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
iupac name: 2,3,4,5,6-pentachlorobenzenethiol @en
broader: CHEMONTID_0001850
pubchem: 8620

2,6,10-trimethylpentadecaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: LBWPYRZGHYVSEL-UHFFFAOYSA-N
formula: C18H38
smiles: CCCCCC(C)CCCC(C)CCCC(C)C
notation: 2610TC1yC15
cas number: 3892-00-0
iupac name: 2,6,10-TRIMETHYLPENTADECANE @en
inchi: InChI=1S/C18H38/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h16-18H,6-15H2,1-5H3
pubchem: 19775
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001550

oxfendazole
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
notation: oxfdzle
iupac name: methyl N-(6-phenylsulfinyl-1H-benzimidazol-2-yl)carbamate @en
broader: CHEMONTID_0000294
cas number: 53716-50-0
pubchem: 40854
inchikey: BEZZFPOZAYTVHN-UHFFFAOYSA-N
formula: C15H13N3O3S

amitraz
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C19H23N3
inchikey: QXAITBQSYVNQDR-UHFFFAOYSA-N
inchi: InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3
pubchem: 36324
broader: CHEMONTID_0004209
iupac name: N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide @en
cas number: 33089-61-1
notation: amtz
in scheme: Conceptschema Chemische Stoffen

thallium 208
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: thallium-208 @en
notation: Tl208
cas number: 14913-50-9
smiles: [Tl]
in scheme: Conceptschema Chemische Stoffen
inchikey: BKVIYDNLLOSFOA-RNFDNDRNSA-N
broader: CHEMONTID_0000427
formula: Tl
inchi: InChI=1S/Tl/i1+4
pubchem: 6335611

1,3-di-isopropylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,3-di(propan-2-yl)benzene @en
broader: CHEMONTID_0000355
smiles: CC(C)C1=CC(=CC=C1)C(C)C
inchikey: UNEATYXSUBPPKP-UHFFFAOYSA-N
inchi: InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3
notation: 13DiC3yeBen
pubchem: 7450
formula: C12H18
cas number: 99-62-7

2-amino-4,6-dinitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C7H7N3O4
inchikey: IEEJAAUSLQCGJH-UHFFFAOYSA-N
cas number: 35572-78-2
pubchem: 37182
smiles: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
iupac name: 2-methyl-3,5-dinitroaniline @en
notation: 2Ao46DNO2Tol
inchi: InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003969

methylbenzothiazole
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 8446
inchi: InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
notation: 2C1ybztazl
iupac name: 2-methyl-1,3-benzothiazole @en
formula: C8H7NS
smiles: CC1=NC2=CC=CC=C2S1
inchikey: DXYYSGDWQCSKKO-UHFFFAOYSA-N
broader: CHEMONTID_0000311
cas number: 120-75-2
alternative label: 2-methylbenzothiazool
in scheme: Conceptschema Chemische Stoffen

pcb 167
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H
inchikey: AZXHAWRMEPZSSV-UHFFFAOYSA-N
alternative label: PCB 167
alternative label: 2,3',4,4',5,5'-hexachloorbifenyl
alternative label: 2,3',4,4',5,5'-hexachloorbifenyl (pcb167)
is referenced by: LUC VI 002
formula: C12H4Cl6
pubchem: 40479
broader: CHEMONTID_0003030
cas number: 52663-72-6
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3-trichloro-5-(2,4,5-trichlorophenyl)benzene @en
comment: VLAR III (D3) 'dioxineachtige PCB's'
notation: PCB167

methyl-n-nitroso-vinylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3
pubchem: 20678
alternative label: methyl-N-nitroso-vinylamine
formula: C3H6N2O
iupac name: N-ethenyl-N-methylnitrous amide @en
smiles: CN(C=C)N=O
inchikey: AWZVYNHQGTZJIH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004777
notation: C1yNNO2svnAe
cas number: 4549-40-0

prosulfocarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: prosfcb
pubchem: 62020
inchi: InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
formula: C14H21NOS
inchikey: NQLVQOSNDJXLKG-UHFFFAOYSA-N
broader: CHEMONTID_0002279
iupac name: S-(phenylmethyl) (dipropylamino)methanethioate @en
in scheme: Conceptschema Chemische Stoffen
smiles: CCCN(CCC)C(=O)SCC1=CC=CC=C1
cas number: 52888-80-9

fluazifop
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: fluazfp
formula: C15H12F3NO4
cas number: 121958-44-9
cas number: 69335-91-7
cas number: 93171-48-3
cas number: 86023-37-2
cas number: 87168-00-1
in scheme: Conceptschema Chemische Stoffen
inchikey: YUVKUEAFAVKILW-UHFFFAOYSA-N
pubchem: 91701
iupac name: 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid @en
broader: CHEMONTID_0004674
inchi: InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)

edifenfos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: AWZOLILCOUMRDG-UHFFFAOYSA-N
inchi: InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3
cas number: 17109-49-8
pubchem: 28292
formula: C14H15O2PS2
notation: edffs
smiles: CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002279

buprofezin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 50367
cas number: 69327-76-0
inchi: InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
inchikey: PRLVTUNWOQKEAI-UHFFFAOYSA-N
iupac name: 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one @en
notation: bupfzn
formula: C16H23N3OS
broader: CHEMONTID_0003094
in scheme: Conceptschema Chemische Stoffen

molybdeentrioxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: JKQOBWVOAYFWKG-UHFFFAOYSA-N
cas number: 77835-70-2
cas number: 12412-22-5
cas number: 1313-27-5
cas number: 114663-84-2
cas number: 12412-21-4
cas number: 37376-47-9
cas number: 114316-51-7
cas number: 199790-61-9
smiles: O=[Mo](=O)=O
notation: MoTO
broader: CHEMONTID_0000538
formula: MoO3
in scheme: Conceptschema Chemische Stoffen
iupac name: trioxomolybdenum @en
pubchem: 14802
inchi: InChI=1S/Mo.3O

3,3'-dichloorbenzidine sulfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 62235
formula: C12H14Cl2N2O8S2
inchikey: PMZNABNRKYMIKT-UHFFFAOYSA-N
cas number: 64969-34-2
broader: CHEMONTID_0003956
in scheme: Conceptschema Chemische Stoffen
notation: 33DClbzdnSO4
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.OS(=O)(=O)O.OS(=O)(=O)O
inchi: InChI=1S/C12H10Cl2N2.2H2O4S/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;2*1-5(2,3)4/h1-6H,15-16H2;2*(H2,1,2,3,4)
iupac name: 4-(4-amino-3-chlorophenyl)-2-chloroaniline; sulfuric acid @en

b-fenylethylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 64-04-0
inchi: InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
broader: CHEMONTID_0000186
formula: C8H11N
inchikey: BHHGXPLMPWCGHP-UHFFFAOYSA-N
iupac name: 2-phenylethanamine @en
in scheme: Conceptschema Chemische Stoffen
notation: 2FyC2yAe
smiles: C1=CC=C(C=C1)CCN
pubchem: 1001

trichloorbenzenen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: RELMFMZEBKVZJC-UHFFFAOYSA-N
alternative label: 1,2,3-trichloorbenzeen
alternative label: trichloorbenzeen
in scheme: Conceptschema Chemische Stoffen
notation: 123TClBen
notation: TClBen
smiles: C1=CC(=C(C(=C1)Cl)Cl)Cl
cas number: 87-61-6
cas number: 12002-48-1
inchi: InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H
formula: C6H3Cl3
broader: CHEMONTID_0001099
pubchem: 6895
iupac name: 1,2,3-Trichlorobenzene @en

fenylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: Phenoxybenzene @en
broader: CHEMONTID_0004155
inchi: InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
pubchem: 7583
inchikey: USIUVYZYUHIAEV-UHFFFAOYSA-N
cas number: 32576-61-7
cas number: 101-84-8
formula: C12H10O
in scheme: Conceptschema Chemische Stoffen
notation: FyEtr
smiles: C1=CC=C(C=C1)OC2=CC=CC=C2

p-tolueensulfonamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: pTolsfAd
inchikey: LMYRWZFENFIFIT-UHFFFAOYSA-N
inchi: InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
smiles: CC1=CC=C(C=C1)S(=O)(=O)N
formula: C7H9NO2S
in scheme: Conceptschema Chemische Stoffen
cas number: 70-55-3
pubchem: 6269
iupac name: 4-Methylbenzenesulfonamide @en
broader: CHEMONTID_0004517

7-desmethylmicrocystine-lr
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0002010
formula: C48H72N10O12
cas number: 134842-07-2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36+,37-,39+/m0/s1
alternative label: 7-desmethylmicrocystine-LR
inchikey: WLWITBHAANNFHV-YNYQYFAYSA-N
iupac name: (5R,8R,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid @en
pubchem: 6441244
notation: dmMC-LR

chloordioxide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: ClO2
notation: ClDO
cas number: 56310-06-6
cas number: 74296-11-0
cas number: 72061-90-6
cas number: 1318-59-8
cas number: 77546-18-0
cas number: 77546-17-9
cas number: 24518-47-6
cas number: 69049-77-0
cas number: 70134-37-1
cas number: 155808-17-6
cas number: 14998-27-7
cas number: 93085-22-4
cas number: 10049-04-4
cas number: 1333-81-9
inchikey: QBWCMBCROVPCKQ-UHFFFAOYSA-M
inchi: InChI=1S/ClHO2/c2-1-3/h(H,2,3)/p-1
broader: CHEMONTID_0001050
formula: ClO2-
iupac name: Chlorite @en
alternative label: chloriet
pubchem: 197148
in scheme: Conceptschema Chemische Stoffen
smiles: [O-]Cl=O

bis(2-chloorethyl)2-chloorethylfosfonaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C6H12Cl3O3P/c7-1-4-11-13(10,6-3-9)12-5-2-8/h1-6H2
notation: b2ClC2y2ClC2
in scheme: Conceptschema Chemische Stoffen
formula: C6H12Cl3O3P
inchikey: XXIDKSWYSYEFAG-UHFFFAOYSA-N
smiles: C(CCl)OP(=O)(CCCl)OCCCl
broader: CHEMONTID_0004482
pubchem: 80518
cas number: 6294-34-4
cas number: 21343-86-2
iupac name: 1-chloro-2-(2-chloroethoxy-(2-chloroethyl)phosphoryl)oxyethane @en

tetracontaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
broader: CHEMONTID_0002500
pubchem: 20149
notation: C40a
in scheme: Conceptschema Chemische Stoffen
inchikey: KUPLEGDPSCCPJI-UHFFFAOYSA-N
iupac name: TETRACONTANE @en
cas number: 4181-95-7
formula: C40H82

fluoxetine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: RTHCYVBBDHJXIQ-UHFFFAOYSA-N
iupac name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine @en
cas number: 57226-07-0
cas number: 54910-89-3
cas number: 52341-67-0
broader: CHEMONTID_0004551
notation: fluoxtne
pubchem: 3386
inchi: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
formula: C17H18F3NO
in scheme: Conceptschema Chemische Stoffen

1,1-dichloor-1-fluorethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001517
iupac name: 1,1-DICHLORO-1-FLUOROETHANE @en
inchikey: FRCHKSNAZZFGCA-UHFFFAOYSA-N
smiles: CC(F)(Cl)Cl
notation: HCFK141b
cas number: 1717-00-6
in scheme: Conceptschema Chemische Stoffen
pubchem: 15586
formula: C2H3Cl2F
inchi: InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3

radium 226
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 13982-63-3
cas number: 7440-14-4
smiles: [Ra]
inchi: InChI=1S/Ra
broader: CHEMONTID_0000428
inchikey: HCWPIIXVSYCSAN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: RADIUM @en
notation: Ra
notation: Ra226
formula: Ra
pubchem: 6328144
alternative label: radium

dimethylcarbamoyl chloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 6598
iupac name: N,N-Dimethylcarbamoyl chloride @en
notation: DC1ycbmyCl
inchi: InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3
smiles: CN(C)C(=O)Cl
in scheme: Conceptschema Chemische Stoffen
cas number: 79-44-7
cas number: 342009-25-0
formula: C3H6ClNO
inchikey: YIIMEMSDCNDGTB-UHFFFAOYSA-N
broader: CHEMONTID_0001192

chloorfluoraniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 367-21-5
formula: C6H5ClFN
smiles: C1=CC(=C(C=C1N)Cl)F
inchikey: YSEMCVGMNUUNRK-UHFFFAOYSA-N
notation: ClFAn
pubchem: 9708
iupac name: 3-CHLORO-4-FLUOROANILINE @en
inchi: InChI=1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
broader: CHEMONTID_0000284

(2,4-dichloorfenoxy)azijnzuur (2,4-d)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: OVSKIKFHRZPJSS-UHFFFAOYSA-N
iupac name: 2-(2,4-dichlorophenoxy)acetic acid @en
cas number: 15183-39-8
cas number: 94-75-7
smiles: C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
broader: CHEMONTID_0004525
alternative label: 2,4-dichloorfenoxyazijnzuur
alternative label: (2,4-dichloorfenoxy)-azijnzuur (2,4-d)
pubchem: 1486
inchi: InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
formula: C8H6Cl2O3
notation: 24D

mexacarbaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C12H18N2O2
broader: CHEMONTID_0004640
cas number: 315-18-4
pubchem: 9414
inchikey: YNEVBPNZHBAYOA-UHFFFAOYSA-N
notation: mexcbt
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC
inchi: InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)
iupac name: (4-dimethylamino-3,5-dimethylphenyl) N-methylcarbamate @en

2-(perfluoroctyl)ethaan-1-sulfonzuur (8:2 FTS)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 39108-34-4
notation: 8:2 FTS
notation: H-PFC10asfzr
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid @en
alternative label: 8:2 fluortelomeersulfonzuur (8:2 fts)
alternative label: 8:2 fluortelomeersulfonzuur
broader: CHEMONTID_0001179
formula: C10H5F17O3S
inchikey: ALVYVCQIFHTIRD-UHFFFAOYSA-N
inchi: InChI=1S/C10H5F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)
pubchem: 3016044

tolfenaminezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002948
formula: C14H12ClNO2
notation: tolfAezr
iupac name: 2-[(4-chloro-3-methylphenyl)amino]benzoic acid @en
inchi: InChI=1S/C14H12ClNO2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)
in scheme: Conceptschema Chemische Stoffen
cas number: 13710-19-5
pubchem: 5507
inchikey: QDNMBJXNLJFNHT-UHFFFAOYSA-N
smiles: CC1=C(C=CC(=C1)NC2=CC=CC=C2C(=O)O)Cl

2-pyrrolidon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: HNJBEVLQSNELDL-UHFFFAOYSA-N
broader: CHEMONTID_0003031
notation: 2prldn
inchi: InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
in scheme: Conceptschema Chemische Stoffen
cas number: 22580-55-8
cas number: 616-45-5
pubchem: 12025
iupac name: pyrrolidin-2-one @en
formula: C4H7NO
smiles: C1CC(=O)NC1

ethylbutyraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000324
iupac name: Ethyl butanoate @en
inchi: InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
formula: C6H12O2
pubchem: 7762
in scheme: Conceptschema Chemische Stoffen
inchikey: OBNCKNCVKJNDBV-UHFFFAOYSA-N
notation: C2ybtrt
cas number: 105-54-4
smiles: CCCC(=O)OCC

cyanuurzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 27941-25-9
cas number: 40580-20-9
cas number: 27026-93-3
cas number: 108-80-5
cas number: 504-19-8
cas number: 134016-52-7
inchikey: ZFSLODLOARCGLH-UHFFFAOYSA-N
iupac name: 1,3,5-triazinane-2,4,6-trione @en
inchi: InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
notation: CNuzr
smiles: C1(=O)NC(=O)NC(=O)N1
pubchem: 7956
formula: C3H3N3O3
broader: CHEMONTID_0004105
in scheme: Conceptschema Chemische Stoffen

chloorbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
inchikey: MVPPADPHJFYWMZ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 68411-45-0
cas number: 108-90-7
cas number: 50717-45-8
notation: ClBen
is referenced by: LUC IV 001
is referenced by: LUC IV 011
is referenced by: LUC IV 000
smiles: C1=CC=C(C=C1)Cl
broader: CHEMONTID_0001099
comment: VLAR II bijl. 4.4.2
formula: C6H5Cl
iupac name: Chlorobenzene @en
pubchem: 7964

7H-perfluorheptaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
alternative label: 7h-perfluorheptaanzuur
inchikey: JZHDEEOTEUVLHR-UHFFFAOYSA-N
notation: HPFHpA
broader: CHEMONTID_0003086
pubchem: 15243
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid @en
cas number: 1546-95-8
inchi: InChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)
formula: C7H2F12O2

4-oxoisoforon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C9H12O2
pubchem: 62374
inchi: InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
inchikey: AYJXHIDNNLJQDT-UHFFFAOYSA-N
smiles: CC1=CC(=O)CC(C1=O)(C)C
broader: CHEMONTID_0004325
notation: 4Ooifrn
iupac name: 2,6,6-Trimethylcyclohex-2-ene-1,4-dione @en
in scheme: Conceptschema Chemische Stoffen
cas number: 1125-21-9

fenfuram
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68445-15-8
cas number: 24691-80-3
broader: CHEMONTID_0002279
formula: C12H11NO2
notation: fenfrm
inchikey: JFSPBVWPKOEZCB-UHFFFAOYSA-N
inchi: InChI=1S/C12H11NO2/c1-9-11(7-8-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)
iupac name: 2-methyl-N-phenylfuran-3-carboxamide @en
pubchem: 90590
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C=CO1)C(=O)NC2=CC=CC=C2

carbofenothion-methyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3
notation: carbfntoC1y
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004631
inchikey: OUCCVXVYGFBXSV-UHFFFAOYSA-N
cas number: 953-17-3
pubchem: 13721
formula: C9H12ClO2PS3
smiles: COP(=S)(OC)SCSC1=CC=C(C=C1)Cl
iupac name: (4-chlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidenephosphorane @en

monosulfiram
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0003260
pubchem: 7215
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3
cas number: 95-05-6
inchikey: CTPKSRZFJSJGML-UHFFFAOYSA-N
notation: monsfrm
formula: C10H20N2S3
iupac name: diethylcarbamothioyl diethylaminomethanedithioate @en
smiles: CCN(CC)C(=S)SC(=S)N(CC)CC

cocaethyleen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: cocC2ye
inchi: InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13?,14?,15-,16+/m0/s1
broader: CHEMONTID_0001350
iupac name: ethyl (2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 65034
inchikey: NMPOSNRHZIWLLL-SSHXOBKSSA-N
cas number: 529-38-4
formula: C18H23NO4

lutetium 173
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 177429
formula: Lu
inchi: InChI=1S/Lu/i1-2
cas number: 14391-24-3
in scheme: Conceptschema Chemische Stoffen
smiles: [Lu]
inchikey: OHSVLFRHMCKCQY-YPZZEJLDSA-N
notation: Lu173
broader: CHEMONTID_0000429
iupac name: lutetium-173 @en

actinium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: Ac
in scheme: Conceptschema Chemische Stoffen
pubchem: 23965
smiles: [Ac]
cas number: 7440-34-8
notation: Ac
broader: CHEMONTID_0000430
iupac name: ACTINIUM @en
inchikey: QQINRWTZWGJFDB-UHFFFAOYSA-N
inchi: InChI=1S/Ac

fenarimol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H
pubchem: 43226
inchikey: NHOWDZOIZKMVAI-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: fenarml
formula: C17H12Cl2N2O
iupac name: (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol @en
cas number: 60168-88-9
cas number: 162707-16-6

quinoclamin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2-amino-3-chloronaphthalene-1,4-dione @en
formula: C10H6ClNO2
smiles: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2
pubchem: 17748
broader: CHEMONTID_0000153
cas number: 2797-51-5
inchikey: OBLNWSCLAYSJJR-UHFFFAOYSA-N
notation: quincmn

iso-propylflamprop
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: propan-2-yl 2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate @en
pubchem: 40520
formula: C19H19ClFNO3
broader: CHEMONTID_0004713
inchikey: IKVXBIIHQGXQRQ-UHFFFAOYSA-N
cas number: 52756-22-6
inchi: InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3
in scheme: Conceptschema Chemische Stoffen
notation: iC3yfpp

3-methylcholantreen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 3C1ycltn
in scheme: Conceptschema Chemische Stoffen
inchikey: PPQNQXQZIWHJRB-UHFFFAOYSA-N
iupac name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene @en
inchi: InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3
pubchem: 1674
cas number: 345299-31-2
cas number: 56-49-5
formula: C21H16
broader: CHEMONTID_0000025

8:2 fluortelomeer onverzadigd carboxylzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: WHZXTVOEGZRRJM-UHFFFAOYSA-N
formula: C10H2F16O2
broader: CHEMONTID_0003086
inchi: InChI=1S/C10H2F16O2/c11-2(1-3(27)28)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H,(H,27,28)
notation: 8:2 FTUCA
pubchem: 71404795
iupac name: 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-enoic acid @en
cas number: 70887-84-2
in scheme: Conceptschema Chemische Stoffen

fenbuconazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0003467
pubchem: 86138
in scheme: Conceptschema Chemische Stoffen
cas number: 119611-00-6
cas number: 114369-43-6
iupac name: 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile @en
formula: C19H17ClN4
inchi: InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2
inchikey: RQDJADAKIFFEKQ-UHFFFAOYSA-N
notation: fenbcnzl

mecoprop
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 93-65-2
cas number: 7085-19-0
formula: C10H11ClO3
iupac name: 2-(4-Chloro-2-methylphenoxy)propanoic acid @en
smiles: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O
pubchem: 7153
inchi: InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
in scheme: Conceptschema Chemische Stoffen
notation: MCPP
alternative label: mecoprop (mcpp)
inchikey: WNTGYJSOUMFZEP-UHFFFAOYSA-N
broader: CHEMONTID_0004676

dimethylsulfide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 1068
in scheme: Conceptschema Chemische Stoffen
formula: C2H6S
inchi: InChI=1S/C2H6S/c1-3-2/h1-2H3
inchikey: QMMFVYPAHWMCMS-UHFFFAOYSA-N
cas number: 31533-72-9
cas number: 75-18-3
iupac name: methylsulfanylmethane @en
smiles: CSC
broader: CHEMONTID_0003862
notation: DC1yS

2,3-dichloorfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0002564
inchikey: UMPSXRYVXUPCOS-UHFFFAOYSA-N
cas number: 25167-81-1
cas number: 576-24-9
pubchem: 11334
in scheme: Conceptschema Chemische Stoffen
formula: C6H4Cl2O
notation: 23DClFol
smiles: C1=CC(=C(C(=C1)Cl)Cl)O
inchi: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
iupac name: 2,3-Dichlorophenol @en

pregabalin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 5486971
iupac name: (3S)-3-(aminomethyl)-5-methylhexanoic acid @en
formula: C8H17NO2
smiles: CC(C)CC(CC(=O)O)CN
in scheme: Conceptschema Chemische Stoffen
notation: pregbln
broader: CHEMONTID_0001880
inchi: InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
inchikey: AYXYPKUFHZROOJ-ZETCQYMHSA-N
cas number: 148553-50-8

2-chloorethylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C4H9ClO
inchikey: GPTVQTPMFOLLOA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-CHLORO-2-ETHOXYETHANE @en
inchi: InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3
pubchem: 12341
smiles: CCOCCCl
cas number: 628-34-2
notation: 2ClEyEtr
broader: CHEMONTID_0001167

vinclozolin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: FSCWZHGZWWDELK-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: vinczln
pubchem: 39676
iupac name: 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione @en
cas number: 50471-44-8
inchi: InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3
formula: C12H9Cl2NO3

3-tertiair-butylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 3ttC4yFol
in scheme: Conceptschema Chemische Stoffen
cas number: 585-34-2
iupac name: 3-tert-Butylphenol @en
inchi: InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3
smiles: CC(C)(C)C1=CC(=CC=C1)O
inchikey: CYEKUDPFXBLGHH-UHFFFAOYSA-N
formula: C10H14O
pubchem: 11450
broader: CHEMONTID_0002811

chloorbenside
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: Clbsde
inchikey: ZHLKXBJTJHRTTE-UHFFFAOYSA-N
formula: C13H10Cl2S
iupac name: 1-chloro-4-[(4-chlorophenyl)sulfanylmethyl]benzene @en
smiles: C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)Cl
inchi: InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2
broader: CHEMONTID_0004631
in scheme: Conceptschema Chemische Stoffen
cas number: 103-17-3
pubchem: 7639

chlooroxuron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)
iupac name: 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea @en
pubchem: 16115
notation: Cloxrn
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004155
inchikey: IVUXTESCPZUGJC-UHFFFAOYSA-N
cas number: 1982-47-4
formula: C15H15ClN2O2

nonylfenolpentaethoxylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: NPEO5
inchi: InChI=1S/C25H44O6/c1-2-3-4-5-6-7-8-11-24-12-9-10-13-25(24)31-23-22-30-21-20-29-19-18-28-17-16-27-15-14-26/h9-10,12-13,26H,2-8,11,14-23H2,1H3
pubchem: 168503
cas number: 26264-02-8
broader: CHEMONTID_0003338
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCO
in scheme: Conceptschema Chemische Stoffen
inchikey: HRQQEXIVBZHHOQ-UHFFFAOYSA-N
formula: C25H44O6

methyl chloorcarbonaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: COC(=O)Cl
inchikey: XMJHPCRAQCTCFT-UHFFFAOYSA-N
notation: C1yClcbnt
inchi: InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3
pubchem: 6586
iupac name: METHYL CHLOROFORMATE @en
cas number: 79-22-1
formula: C2H3ClO2
broader: CHEMONTID_0000364
in scheme: Conceptschema Chemische Stoffen

fluvalinaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: flualnt
formula: C26H22ClF3N2O3
pubchem: 50516
in scheme: Conceptschema Chemische Stoffen
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 2-[[2-chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoate @en
cas number: 69409-94-5
cas number: 79472-91-6
broader: CHEMONTID_0004155
inchikey: INISTDXBRIBGOC-UHFFFAOYSA-N

formamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 713
cas number: 23296-41-5
cas number: 75-12-7
formula: CH3NO
smiles: C(=O)N
notation: formAd
inchi: InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
iupac name: FORMAMIDE @en
inchikey: ZHNUHDYFZUAESO-UHFFFAOYSA-N
broader: CHEMONTID_0002484

2-chloor-6-(trichloormethyl)pyridine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: DCUJJWWUNKIJPH-UHFFFAOYSA-N
pubchem: 16004
iupac name: 2-Chloro-6-(trichloromethyl)pyridine @en
smiles: C1=CC(=NC(=C1)Cl)C(Cl)(Cl)Cl
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
notation: 2Cl6TClC1ypr
cas number: 1929-82-4
broader: CHEMONTID_0004532
formula: C6H3Cl4N

oxasulfuron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: Oasfrn
broader: CHEMONTID_0004705
inchikey: IOXAXYHXMLCCJJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 86443
iupac name: oxetan-3-yl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate @en
formula: C17H18N4O6S
inchi: InChI=1S/C17H18N4O6S/c1-10-7-11(2)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-13(14)15(22)27-12-8-26-9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,20,21,23)
cas number: 144651-06-9

cinnarizine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: DERZBLKQOCDDDZ-JLHYYAGUSA-N
inchi: InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+
broader: CHEMONTID_0000369
cas number: 16699-20-0
cas number: 298-57-7
pubchem: 1547484
in scheme: Conceptschema Chemische Stoffen
iupac name: ['1-[di(phenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine', '1-[di(phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine'] @en
formula: C26H28N2

naled
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 4420
in scheme: Conceptschema Chemische Stoffen
notation: nald
smiles: COP(=O)(OC)OC(C(Cl)(Cl)Br)Br
iupac name: (1,2-dibromo-2,2-dichloroethyl) dimethyl phosphate @en
cas number: 300-76-5
cas number: 53095-31-1
inchikey: BUYMVQAILCEWRR-UHFFFAOYSA-N
formula: C4H7Br2Cl2O4P
broader: CHEMONTID_0003460

2,2-dimethylhexaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CCCCC(C)(C)C
formula: C8H18
cas number: 590-73-8
cas number: 29222-48-8
broader: CHEMONTID_0004620
inchi: InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3
notation: 22DC1yC6a
inchikey: FLTJDUOFAQWHDF-UHFFFAOYSA-N
pubchem: 11551
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2-DIMETHYLHEXANE @en

technetium 97
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: GKLVYJBZJHMRIY-BJUDXGSMSA-N
notation: Tc97
inchi: InChI=1S/Tc/i1-1
in scheme: Conceptschema Chemische Stoffen
pubchem: 161147
smiles: [Tc]
broader: CHEMONTID_0000426
cas number: 15759-35-0
formula: Tc
iupac name: technetium-97 @en

broomfenvinfos-methyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0002564
cas number: 13104-21-7
smiles: COP(=O)(OC)OC(=CBr)C1=C(C=C(C=C1)Cl)Cl
iupac name: [(E)-2-bromo-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate @en
inchikey: LOOAGTDYKNUDBZ-UXBLZVDNSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C10H10BrCl2O4P
pubchem: 6107844
notation: BrfvfsC1y

beta-propiolacton
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C3H4O2
cas number: 57-57-8
inchikey: VEZXCJBBBCKRPI-UHFFFAOYSA-N
pubchem: 2365
smiles: C1COC1=O
notation: bppoltn
in scheme: Conceptschema Chemische Stoffen
iupac name: oxetan-2-one @en
broader: CHEMONTID_0001243
inchi: InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2

fenpropidin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C19H31N
smiles: CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2
notation: fenppdn
iupac name: 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine @en
inchikey: MGNFYQILYYYUBS-UHFFFAOYSA-N
pubchem: 91694
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
cas number: 67306-00-7
inchi: InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3

flumethrin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C28H22Cl2FNO3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001461
notation: flumtn
pubchem: 6033664
iupac name: ['[cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate'] @en
cas number: 69770-45-2
inchikey: YXWCBRDRVXHABN-JCMHNJIXSA-N

N'-(2,4-dimethylfenyl)-N-methylformamidine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C10H15ClN2
notation: N24DC1yFyNC1
pubchem: 36325
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H14N2.ClH/c1-8-4-5-10(9(2)6-8)12-7-11-3;/h4-7H,1-3H3,(H,11,12);1H
iupac name: N-(2,4-dimethylphenyl)-N'-methylmethanimidamide hydrochloride @en
smiles: CC1=CC(=C(C=C1)[NH2+]C=NC)C.[Cl-]
alternative label: n'-(2,4-dimethylfenyl)-n-methylformamidine
cas number: 51550-40-4
cas number: 33089-74-6
broader: CHEMONTID_0004209
inchikey: VXSNJXDZTGFDMB-UHFFFAOYSA-N

cefuroxim
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C16H16N4O8S
pubchem: 5361202
cas number: 55268-75-2
iupac name: ['(6R,7R)-3-(carbamoyloxymethyl)-7-[[(2E)-2-furan-2-yl-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid', '(6R,7R)-3-(carbamoyloxymethyl)-7-[(2-furan-2-yl-2-methoxyiminoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid'] @en
in scheme: Conceptschema Chemische Stoffen
notation: cefrxm
inchi: InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9+/t10-,14-/m1/s1
broader: CHEMONTID_0004410
inchikey: JFPVXVDWJQMJEE-SWWZKJRFSA-N

2,3,4,5,6-pentabroomethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 1,2,3,4,5-pentabromo-6-ethylbenzene @en
cas number: 85-22-3
smiles: CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
formula: C8H5Br5
inchi: InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3
notation: 2345PeBrC2y
alternative label: pentabroomethylbenzeen
pubchem: 6800
inchikey: FIAXCDIQXHJNIX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001098

(5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001975
alternative label: (5s)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinon
formula: C10H12N2O
notation: 5S1C1y53prdn
smiles: CN1C(CCC1=O)C2=CN=CC=C2
inchikey: UIKROCXWUNQSPJ-UHFFFAOYSA-N
iupac name: 1-methyl-5-pyridin-3-ylpyrrolidin-2-one @en
cas number: 486-56-6
inchi: InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
pubchem: 408
in scheme: Conceptschema Chemische Stoffen

difloxacine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid @en
inchi: InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)
broader: CHEMONTID_0002348
pubchem: 56206
inchikey: NOCJXYPHIIZEHN-UHFFFAOYSA-N
cas number: 98106-17-3
formula: C21H19F2N3O3

octadecylacetaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C20H40O2
inchikey: OIZXRZCQJDXPFO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001722
notation: C18yactt
pubchem: 69968
cas number: 72269-30-8
cas number: 822-23-1
smiles: CCCCCCCCCCCCCCCCCCOC(=O)C
iupac name: Octadecyl acetate @en
inchi: InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3

uranium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000430
cas number: 22541-40-8
cas number: 7440-61-1
cas number: 24678-82-8
cas number: 16089-60-4
cas number: 13598-56-6
inchi: InChI=1S/U
iupac name: URANIUM @en
notation: U
notation: U238
inchikey: JFALSRSLKYAFGM-UHFFFAOYSA-N
pubchem: 23989
formula: U
alternative label: Uranium 238
in scheme: Conceptschema Chemische Stoffen
smiles: [U]

4,4'-diaminostilbeen-2,2'-disulfonzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 5284378
in scheme: Conceptschema Chemische Stoffen
cas number: 65941-98-2
cas number: 81-11-8
notation: 44DAosb22Dsf
broader: CHEMONTID_0004785
inchikey: REJHVSOVQBJEBF-OWOJBTEDSA-N
iupac name: ['5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid', '5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid'] @en
formula: C14H14N2O6S2
inchi: InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/b2-1+

di-n-butylftalaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C16H22O4
broader: CHEMONTID_0001350
cas number: 84-74-2
pubchem: 3026
notation: DC4yFt
inchi: InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
alternative label: dibutylftalaat
inchikey: DOIRQSBPFJWKBE-UHFFFAOYSA-N
iupac name: dibutyl benzene-1,2-dicarboxylate @en

rosuvastatine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: BPRHUIZQVSMCRT-YXWZHEERSA-N
iupac name: (E,3R,5R)-7-[4-(4-fluorophenyl)-2-(methyl-methylsulfonylamino)-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid @en
formula: C22H28FN3O6S
inchi: InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17+/m0/s1
in scheme: Conceptschema Chemische Stoffen
pubchem: 6439133
cas number: 287714-41-4
notation: rosvstne
broader: CHEMONTID_0002308

ditalimfos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0004749
in scheme: Conceptschema Chemische Stoffen
formula: C12H14NO4PS
inchikey: MTBZIGHNGSTDJV-UHFFFAOYSA-N
pubchem: 21207
smiles: CCOP(=S)(N1C(=O)C2=CC=CC=C2C1=O)OCC
inchi: InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3
cas number: 5131-24-8
notation: Dtlfs
iupac name: 2-diethoxyphosphinothioylisoindole-1,3-dione @en

N,N,4-trimethylaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003964
pubchem: 7471
iupac name: N,N,4-Trimethylaniline @en
smiles: CC1=CC=C(C=C1)N(C)C
formula: C9H13N
in scheme: Conceptschema Chemische Stoffen
cas number: 99-97-8
inchi: InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3
notation: NN4TC1yAn
inchikey: GYVGXEWAOAAJEU-UHFFFAOYSA-N
alternative label: n,n,4-trimethylaniline

metronidazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 4173
inchi: InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
inchikey: VAOCPAMSLUNLGC-UHFFFAOYSA-N
smiles: CC1=NC=C(N1CCO)[N+](=O)[O-]
iupac name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol @en
broader: CHEMONTID_0000242
in scheme: Conceptschema Chemische Stoffen
notation: metndzl
formula: C6H9N3O3
cas number: 99616-64-5
cas number: 443-48-1

4-chloor-2-nitroanisool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 4-chloro-1-methoxy-2-nitrobenzene @en
in scheme: Conceptschema Chemische Stoffen
cas number: 89-21-4
inchi: InChI=1S/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3
notation: 4Cl2NO2ansl
broader: CHEMONTID_0004671
formula: C7H6ClNO3
smiles: COC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
inchikey: OSAYFGJUEOYRHY-UHFFFAOYSA-N
pubchem: 66631

3-broomfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C1=CC(=CC(=C1)Br)O
pubchem: 11563
iupac name: 3-BROMOPHENOL @en
in scheme: Conceptschema Chemische Stoffen
notation: 3BrFol
cas number: 591-20-8
inchikey: MNOJRWOWILAHAV-UHFFFAOYSA-N
inchi: InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H
broader: CHEMONTID_0002767
formula: C6H5BrO

ferroceen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C10H10Fe
smiles: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]
broader: CHEMONTID_0004477
in scheme: Conceptschema Chemische Stoffen
cas number: 55404-68-7
cas number: 51364-12-6
cas number: 102-54-5
notation: ferrcn
inchi: InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
iupac name: cyclopenta-1,3-diene; iron(+2) cation @en
pubchem: 7611
inchikey: KTWOOEGAPBSYNW-UHFFFAOYSA-N

palladium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: KDLHZDBZIXYQEI-UHFFFAOYSA-N
formula: Pd
pubchem: 23938
notation: Pd
inchi: InChI=1S/Pd
smiles: [Pd]
iupac name: PALLADIUM @en
cas number: 7440-05-3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000426

venlafaxine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C17H27NO2
pubchem: 5656
notation: venlfxne
inchi: InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
inchikey: PNVNVHUZROJLTJ-UHFFFAOYSA-N
iupac name: 1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol @en
cas number: 93413-69-5
in scheme: Conceptschema Chemische Stoffen
smiles: CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O
broader: CHEMONTID_0000138

butocarboximsulfon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 34681-23-7
inchikey: CTJBHIROCMPUKL-WEVVVXLNSA-N
broader: CHEMONTID_0000505
notation: butcbOxmsfn
inchi: InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+
iupac name: (3-methylsulfonylbutan-2-ylideneamino) N-methylcarbamate @en
smiles: CC(C(=NOC(=O)NC)C)S(=O)(=O)C
pubchem: 9571009
in scheme: Conceptschema Chemische Stoffen
formula: C7H14N2O4S

triadimenol-b
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13+/m1/s1
cas number: 82200-72-4
in scheme: Conceptschema Chemische Stoffen
alternative label: triadimenol-B
formula: C14H18ClN3O2
broader: CHEMONTID_0002341
iupac name: (1S,2S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol @en
inchikey: BAZVSMNPJJMILC-OLZOCXBDSA-N
notation: TadmnlB
pubchem: 93469

1,4-dimethyl-2,5-diisopropylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C14H22
cas number: 10375-96-9
inchikey: MBEBPYJMHLBHDJ-UHFFFAOYSA-N
pubchem: 25211
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000051
inchi: InChI=1S/C14H22/c1-9(2)13-7-12(6)14(10(3)4)8-11(13)5/h7-10H,1-6H3
notation: 14DC1y25DiC3
smiles: CC1=CC(=C(C=C1C(C)C)C)C(C)C
iupac name: 1,4-dimethyl-2,5-di(propan-2-yl)benzene @en

repaglinide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1
notation: repgnde
in scheme: Conceptschema Chemische Stoffen
formula: C27H36N2O4
cas number: 135062-02-1
iupac name: 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid @en
pubchem: 65981
broader: CHEMONTID_0000303
inchikey: FAEKWTJYAYMJKF-QHCPKHFHSA-N

sotalol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C12H20N2O3S
iupac name: N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide @en
inchi: InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
cas number: 27948-47-6
cas number: 3930-20-9
notation: sotll
inchikey: ZBMZVLHSJCTVON-UHFFFAOYSA-N
pubchem: 5253
smiles: CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000038

metolcarb
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C9H11NO2
iupac name: (3-methylphenyl) N-methylcarbamate @en
broader: CHEMONTID_0004640
smiles: CC1=CC(=CC=C1)OC(=O)NC
pubchem: 14322
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)
notation: metcb
inchikey: VOEYXMAFNDNNED-UHFFFAOYSA-N
cas number: 1129-41-5

prometryn
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
cas number: 83653-07-0
cas number: 7287-19-6
pubchem: 4929
formula: C10H19N5S
alternative label: prometryne
in scheme: Conceptschema Chemische Stoffen
inchikey: AAEVYOVXGOFMJO-UHFFFAOYSA-N
notation: promtne
iupac name: 6-methylsulfanyl-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine @en
broader: CHEMONTID_0004735
smiles: CC(C)NC1=NC(=NC(=N1)SC)NC(C)C

2,2',3,3',4,5,6'-heptachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: PCB174
iupac name: 1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenyl)benzene @en
broader: CHEMONTID_0003030
inchikey: ZDLMBNHYTPHDLF-UHFFFAOYSA-N
cas number: 38411-25-5
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H3Cl7/c13-5-1-2-6(14)10(17)8(5)4-3-7(15)11(18)12(19)9(4)16/h1-3H
formula: C12H3Cl7
pubchem: 38025

di-isopropylftalaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: dipropan-2-yl benzene-1,2-dicarboxylate @en
inchi: InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
formula: C14H18O4
in scheme: Conceptschema Chemische Stoffen
pubchem: 11799
notation: DiC3yFt
alternative label: diisopropylftalaat
inchikey: QWDBCIAVABMJPP-UHFFFAOYSA-N
smiles: CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C
cas number: 605-45-8
broader: CHEMONTID_0001350

tetramethanol-acetyleendiureum
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0001149
inchikey: UUGLSEIATNSHRI-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 100091-50-7
cas number: 5395-50-6
cas number: 53272-25-6
iupac name: 1,3,4,6-tetrakis(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione @en
pubchem: 79372
inchi: InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2
notation: T4C1olactlDu
smiles: C(N1C2C(N(C1=O)CO)N(C(=O)N2CO)CO)O
formula: C8H14N4O6

2,4,6-trinitrofenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 189195-39-9
cas number: 29663-11-4
cas number: 190402-10-9
cas number: 88-89-1
notation: 246TNO2Fol
iupac name: 2,4,6-Trinitrophenol @en
formula: C6H3N3O7
inchi: InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H
in scheme: Conceptschema Chemische Stoffen
smiles: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
inchikey: OXNIZHLAWKMVMX-UHFFFAOYSA-N
broader: CHEMONTID_0000141
pubchem: 6954

losartan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: PSIFNNKUMBGKDQ-UHFFFAOYSA-N
inchi: InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
cas number: 114798-26-4
notation: lostan
pubchem: 3961
in scheme: Conceptschema Chemische Stoffen
formula: C22H23ClN6O
iupac name: [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol @en
broader: CHEMONTID_0000041

2-propeenzuur,2-methyl-,1,1'-(1,2-ethaandiyl)ester
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 141104-76-9
cas number: 25721-76-0
cas number: 97-90-5
cas number: 156940-26-0
cas number: 92308-31-1
cas number: 156932-37-5
cas number: 170006-96-9
cas number: 216753-70-7
cas number: 51026-92-7
cas number: 205501-13-9
cas number: 138454-60-1
cas number: 156168-97-7
cas number: 135623-36-8
cas number: 56480-56-9
cas number: 25852-47-5
cas number: 121978-90-3
cas number: 138533-09-2
cas number: 73212-53-0
cas number: 81897-47-4
cas number: 62886-53-7
cas number: 130865-23-5
cas number: 37211-46-4
cas number: 108772-05-0
cas number: 37311-07-2
cas number: 154855-14-8
cas number: 121266-93-1
cas number: 12738-39-5
smiles: CC(=C)C(=O)OCCOC(=O)C(=C)C
in scheme: Conceptschema Chemische Stoffen
pubchem: 7355
notation: 2C3ezr2C1y11
inchikey: STVZJERGLQHEKB-UHFFFAOYSA-N
inchi: InChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3
formula: C10H14O4
broader: CHEMONTID_0000346
iupac name: 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate @en

1,4-dimethoxybenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: OHBQPCCCRFSCAX-UHFFFAOYSA-N
cas number: 150-78-7
inchi: InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
in scheme: Conceptschema Chemische Stoffen
formula: C8H10O2
smiles: COC1=CC=C(C=C1)OC
notation: 14DC1oxBen
iupac name: 1,4-Dimethoxybenzene @en
broader: CHEMONTID_0004111
pubchem: 9016

glyfosine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: OXHDYFKENBXUEM-UHFFFAOYSA-N
notation: glyfsnt
cas number: 174491-49-7
cas number: 2439-99-8
cas number: 174491-47-5
cas number: 174491-50-0
broader: CHEMONTID_0000060
pubchem: 17112
iupac name: 2-(bis(phosphonomethyl)amino)acetic acid @en
smiles: C(C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O
inchi: InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
in scheme: Conceptschema Chemische Stoffen
formula: C4H11NO8P2

2-aminonaftaleen-1,5-disulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: 2AoNaf15Dsfz
cas number: 117-62-4
iupac name: 2-Aminonaphthalene-1,5-disulfonic acid @en
inchi: InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
pubchem: 8338
broader: CHEMONTID_0003600
inchikey: YAIKCRUPEVOINQ-UHFFFAOYSA-N
formula: C10H9NO6S2
in scheme: Conceptschema Chemische Stoffen

butylbenzeensulfonaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: NIKBCKTWWPVAIC-UHFFFAOYSA-N
pubchem: 6642
in scheme: Conceptschema Chemische Stoffen
notation: C4yBensfnt
formula: C10H14O3S
iupac name: Butyl benzenesulfonate @en
inchi: InChI=1S/C10H14O3S/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
smiles: CCCCOS(=O)(=O)C1=CC=CC=C1
broader: CHEMONTID_0004309
cas number: 80-44-4

monochloorhydrine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 7290
smiles: C(C(CCl)O)O
broader: CHEMONTID_0002608
in scheme: Conceptschema Chemische Stoffen
cas number: 96-24-2
cas number: 69420-22-0
cas number: 52340-46-2
formula: C3H7ClO2
iupac name: 3-Chloropropane-1,2-diol @en
inchi: InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
inchikey: SSZWWUDQMAHNAQ-UHFFFAOYSA-N
notation: MClhdne

salicylzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
broader: CHEMONTID_0002514
inchikey: YGSDEFSMJLZEOE-UHFFFAOYSA-N
pubchem: 338
notation: salczr
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Hydroxybenzoic acid @en
cas number: 69-72-7
cas number: 7681-06-3
cas number: 8052-31-1
formula: C7H6O3
smiles: C1=CC=C(C(=C1)C(=O)O)O

diisopropylether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
alternative label: di-isopropylether
is referenced by: LUC IV 000
is referenced by: LUC IV 008
is referenced by: LUC IV 011
iupac name: 2-propan-2-yloxypropane @en
pubchem: 7914
comment: VLAR II bijl. 4.4.2
notation: DiC3yEtr
smiles: CC(C)OC(C)C
inchikey: ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C6H14O
cas number: 108-20-3
broader: CHEMONTID_0001167

vinylchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: C=CCl
comment: VLAREM II bijlage 4.4.2
comment: VLAR III (D3) 'vinylchloride'
comment: VLAREM bijlage 2.5.1 'monovinylchloride'
comment: VLAR II Art. 5.7.7.1
iupac name: Chloroethene @en
cas number: 9002-86-2
cas number: 75-01-4
inchikey: BZHJMEDXRYGGRV-UHFFFAOYSA-N
broader: CHEMONTID_0002863
alternative label: chlooretheen (vinylchloride)
inchi: InChI=1S/C2H3Cl/c1-2-3/h2H,1H2
formula: C2H3Cl
in scheme: Conceptschema Chemische Stoffen
pubchem: 6338
notation: ClC2e

2,3-dichlooraniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C6H5Cl2N
smiles: C1=CC(=C(C(=C1)Cl)Cl)N
in scheme: Conceptschema Chemische Stoffen
pubchem: 11844
inchi: InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
notation: 23DClAn
iupac name: 2,3-Dichloroaniline @en
broader: CHEMONTID_0002564
cas number: 27134-27-6
cas number: 608-27-5
inchikey: BRPSAOUFIJSKOT-UHFFFAOYSA-N

chloorthiamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 15968
formula: C7H5Cl2NS
inchikey: KGKGSIUWJCAFPX-UHFFFAOYSA-N
inchi: InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
smiles: C1=CC(=C(C(=C1)Cl)C(=N)S)Cl
cas number: 1918-13-4
iupac name: 2,6-Dichlorobenzenecarbothioamide @en
broader: CHEMONTID_0002564
notation: CltaAd
in scheme: Conceptschema Chemische Stoffen

benzeensulfonzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 98-11-3
inchikey: SRSXLGNVWSONIS-UHFFFAOYSA-N
inchi: InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
smiles: C1=CC=C(C=C1)S(=O)(=O)O
notation: Bensfzr
pubchem: 7371
iupac name: BENZENESULFONIC ACID @en
formula: C6H6O3S
broader: CHEMONTID_0000032

2,2',3,3',4,5,5'-heptachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 52663-74-8
formula: C12H3Cl7
pubchem: 40481
inchi: InChI=1S/C12H3Cl7/c13-4-1-5(9(16)7(14)2-4)6-3-8(15)11(18)12(19)10(6)17/h1-3H
inchikey: HOPMUCXYRNOABF-UHFFFAOYSA-N
notation: PCB172
broader: CHEMONTID_0003030
iupac name: 1,2,3,4-tetrachloro-5-(2,3,5-trichlorophenyl)benzene @en

1-octanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: KBPLFHHGFOOTCA-UHFFFAOYSA-N
smiles: CCCCCCCCO
pubchem: 957
in scheme: Conceptschema Chemische Stoffen
cas number: 68603-15-6
cas number: 67700-96-3
cas number: 111-87-5
cas number: 220713-26-8
formula: C8H18O
broader: CHEMONTID_0001334
notation: 1C8ol
iupac name: OCTAN-1-OL @en
inchi: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

2-chloor-1,1-dimethylethylbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: DNXXUUPUQXSUFH-UHFFFAOYSA-N
iupac name: (1-chloro-2-methylpropan-2-yl)benzene @en
broader: CHEMONTID_0002811
notation: 2Cl11DC1yC2y
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
cas number: 515-40-2
formula: C10H13Cl
smiles: CC(C)(CCl)C1=CC=CC=C1
pubchem: 68191

octadecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: Octadecane @en
inchikey: RZJRJXONCZWCBN-UHFFFAOYSA-N
inchi: InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
formula: C18H38
pubchem: 11635
notation: C18a
broader: CHEMONTID_0002500
cas number: 593-45-3
smiles: CCCCCCCCCCCCCCCCCC

1,3-dioxaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2
smiles: C1COCOC1
pubchem: 10450
broader: CHEMONTID_0001314
inchikey: VDFVNEFVBPFDSB-UHFFFAOYSA-N
notation: 13DOxan
cas number: 505-22-6
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,3-DIOXANE @en
formula: C4H8O2

polonium 210
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 6328544
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
inchikey: HZEBHPIOVYHPMT-OUBTZVSYSA-N
iupac name: polonium-210 @en
formula: Po
smiles: [Po]
notation: Po210
inchi: InChI=1S/Po/i1+1
cas number: 13981-52-7

5-nitro-ortho-toluidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C=C(C=C1)[N+](=O)[O-])N
cas number: 99-55-8
notation: 5NO2otlidne
broader: CHEMONTID_0000036
formula: C7H8N2O2
iupac name: 2-Methyl-5-nitroaniline @en
inchi: InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3
pubchem: 7444
inchikey: DSBIJCMXAIKKKI-UHFFFAOYSA-N

2,6-dibroomfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C6H4Br2O
notation: 26DBrFol
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002768
iupac name: 2,6-Dibromophenol @en
pubchem: 11847
inchikey: SSIZLKDLDKIHEV-UHFFFAOYSA-N
smiles: C1=CC(=C(C(=C1)Br)O)Br
cas number: 608-33-3
inchi: InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H

PCB-153
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
is referenced by: CMA 3 I
is referenced by: LUC VI 002
alternative label: 2,2',4,4',5,5'-hexachloorbifenyl
alternative label: pcb 153
alternative label: 2,2',4,4',5,5'-hexachloorbifenyl (pcb153)
alternative label: pcb-153
inchikey: MVWHGTYKUMDIHL-UHFFFAOYSA-N
inchi: InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H
pubchem: 37034
notation: PCB153
iupac name: 1,2,4-trichloro-5-(2,4,5-trichlorophenyl)benzene @en
formula: C12H4Cl6
cas number: 35065-27-1
broader: CHEMONTID_0003030

fosmet
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 732-11-6
cas number: 5104-30-3
smiles: COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O
in scheme: Conceptschema Chemische Stoffen
pubchem: 12901
formula: C11H12NO4PS2
inchi: InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
broader: CHEMONTID_0004749
notation: fosmt
inchikey: LMNZTLDVJIUSHT-UHFFFAOYSA-N

hexadecylpyridinium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 140-72-7
formula: C21H38BrN
inchikey: DVBJBNKEBPCGSY-UHFFFAOYSA-M
broader: CHEMONTID_0001764
smiles: CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]
iupac name: 1-hexadecylpyridin-1-ium bromide @en
pubchem: 8816
in scheme: Conceptschema Chemische Stoffen

mepanipyrim
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2
cas number: 110235-47-7
in scheme: Conceptschema Chemische Stoffen
notation: mepnprm
pubchem: 86296
inchi: InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)
broader: CHEMONTID_0000284
iupac name: 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine @en
inchikey: CIFWZNRJIBNXRE-UHFFFAOYSA-N
formula: C14H13N3

diethylsulfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCOS(=O)(=O)OCC
cas number: 64-67-5
cas number: 182115-04-4
cas number: 98503-29-8
broader: CHEMONTID_0001184
inchikey: DENRZWYUOJLTMF-UHFFFAOYSA-N
inchi: InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
iupac name: Diethyl sulfate @en
formula: C4H10O4S
notation: DC2ySO4
in scheme: Conceptschema Chemische Stoffen
pubchem: 6163

benzo(b)fluoran-teen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H
is referenced by: LUC VI 001
alternative label: benzo(b)fluorantheen (b)
alternative label: benzo(b)fluorantheen
comment: VLAR II (D2)
in scheme: Conceptschema Chemische Stoffen
cas number: 205-99-2
notation: BbF
pubchem: 9153
iupac name: pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene @en
broader: CHEMONTID_0000025
inchikey: FTOVXSOBNPWTSH-UHFFFAOYSA-N
formula: C20H12

broompropylaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
inchikey: FOANIXZHAMJWOI-UHFFFAOYSA-N
notation: Brpplt
formula: C17H16Br2O3
cas number: 18181-80-1
cas number: 39394-17-7
iupac name: propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate @en
pubchem: 28936
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen

flufenacet
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000285
inchikey: IANUJLZYFUDJIH-UHFFFAOYSA-N
pubchem: 86429
cas number: 142459-58-3
in scheme: Conceptschema Chemische Stoffen
formula: C14H13F4N3O2S
iupac name: N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide @en
notation: flufnct

cis-11,14,17-eicosatrieenzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: c111417C20aT
in scheme: Conceptschema Chemische Stoffen
cas number: 2091-27-2
iupac name: ['(11E,14E,17E)-icosa-11,14,17-trienoic acid', 'icosa-11,14,17-trienoic acid'] @en
pubchem: 5282827
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+
inchikey: AHANXAKGNAKFSK-IUQGRGSQSA-N
smiles: CCC=CCC=CCC=CCCCCCCCCCC(=O)O
broader: CHEMONTID_0002949
formula: C20H34O2

ammoniumchloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 50295-88-0
cas number: 128532-42-3
cas number: 54450-56-5
cas number: 55871-05-1
cas number: 154383-48-9
cas number: 89485-85-8
cas number: 15630-61-2
cas number: 12125-02-9
cas number: 127634-24-6
cas number: 89485-84-7
cas number: 20548-08-7
cas number: 75944-36-4
in scheme: Conceptschema Chemische Stoffen
formula: ClH4N
inchi: InChI=1S/ClH.H3N/h1H;1H3
smiles: [NH4+].[Cl-]
iupac name: azanium chloride @en
inchikey: NLXLAEXVIDQMFP-UHFFFAOYSA-N
pubchem: 25517
notation: NH4Cl
broader: CHEMONTID_0000437

2-chloor-6-nitrotolueen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CC1=C(C=CC=C1Cl)[N+](=O)[O-]
notation: 2Cl6NO2Tol
iupac name: 1-Chloro-2-methyl-3-nitrobenzene @en
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
formula: C7H6ClNO2
inchikey: XCSNRORTQRKCHB-UHFFFAOYSA-N
pubchem: 6740
inchi: InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
cas number: 83-42-1

salpeterzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68412-17-9
cas number: 7697-37-2
cas number: 218625-70-8
cas number: 78989-43-2
cas number: 12507-77-6
inchi: InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
pubchem: 944
formula: HNO3
smiles: [N+](=O)(O)[O-]
notation: HNO3
inchikey: GRYLNZFGIOXLOG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001062
iupac name: Nitric acid @en

etaconazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 60207-93-4
cas number: 71245-23-3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564
iupac name: 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole @en
formula: C14H15Cl2N3O2
pubchem: 91673
notation: etcnzl
inchikey: DWRKFAJEBUWTQM-UHFFFAOYSA-N

pyroquilon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 91665
cas number: 57369-32-1
cas number: 84930-99-4
notation: pyrqln
broader: CHEMONTID_0001716
smiles: C1CC(=O)N2CCC3=CC=CC1=C32
formula: C11H11NO
inchi: InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2
inchikey: XRJLAOUDSILTFT-UHFFFAOYSA-N
iupac name: 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one @en
in scheme: Conceptschema Chemische Stoffen

benzofenon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C13H10O
inchi: InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
in scheme: Conceptschema Chemische Stoffen
iupac name: di(phenyl)methanone @en
pubchem: 3102
smiles: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
inchikey: RWCCWEUUXYIKHB-UHFFFAOYSA-N
notation: benzfnn
broader: CHEMONTID_0000120
cas number: 119-61-9

plifenaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C10H7Cl5O2
iupac name: [2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl] acetate @en
notation: plifnt
inchi: InChI=1S/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3
broader: CHEMONTID_0001097
inchikey: FSGNOVKGEXRRHD-UHFFFAOYSA-N
pubchem: 89040
cas number: 21757-82-4

diuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 330-54-1
cas number: 56449-18-4
cas number: 127641-75-2
cas number: 150825-44-8
cas number: 201749-62-4
cas number: 102962-29-8
in scheme: Conceptschema Chemische Stoffen
iupac name: 3-(3,4-Dichlorophenyl)-1,1-dimethylurea @en
inchi: InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
pubchem: 3120
smiles: CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
broader: CHEMONTID_0001935
formula: C9H10Cl2N2O
inchikey: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
notation: Durn

1,2-dichloorpropeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002863
smiles: CC(=CCl)Cl
inchikey: PPKPKFIWDXDAGC-IHWYPQMZSA-N
pubchem: 5463459
iupac name: (Z)-1,2-dichloroprop-1-ene @en
notation: 12DClC3e
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3/b3-2-
cas number: 563-54-2
formula: C3H4Cl2

2-fenylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000041
inchi: InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
cas number: 39387-78-5
cas number: 192076-92-9
cas number: 90-43-7
cas number: 61788-42-9
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Phenylphenol @en
smiles: C1=CC=C(C=C1)C2=CC=CC=C2O
pubchem: 7017
notation: 2FyFol
inchikey: LLEMOWNGBBNAJR-UHFFFAOYSA-N
formula: C12H10O

monomethylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: methylamine
cas number: 42939-70-8
cas number: 85404-17-7
cas number: 119775-09-6
cas number: 74-89-5
inchi: InChI=1S/CH5N/c1-2/h2H2,1H3
notation: MC1yAe
smiles: CN
inchikey: BAVYZALUXZFZLV-UHFFFAOYSA-N
comment: VLAREM II bijlage 4.4.2
formula: CH5N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000469
pubchem: 6329
iupac name: Methanamine @en

perfluor-n-pentadecaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: BJNCSIWIMCWIMS-UHFFFAOYSA-N
inchi: InChI=1S/C15HF29O2/c16-2(17,1(45)46)3(18,19)4(20,21)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)44/h(H,45,46)
notation: PFPeDA
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanoic acid @en
pubchem: 12731198
formula: C15HF29O2
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
cas number: 141074-63-7

2-(thiocyanomethylthio)benzothiazool
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: TCMTB
in scheme: Conceptschema Chemische Stoffen
inchikey: TUBQDCKAWGHZPF-UHFFFAOYSA-N
formula: C9H6N2S3
inchi: InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
cas number: 21564-17-0
cas number: 56532-60-6
cas number: 6441-45-8
cas number: 56996-45-3
cas number: 64441-45-8
pubchem: 30692
iupac name: 2-(thiocyanatomethylsulfanyl)-1,3-benzothiazole @en
broader: CHEMONTID_0000311
smiles: C1=CC=C2C(=C1)N=C(S2)SCSC#N

2,4-dimethyl-3-hexanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCC(C)C(C(C)C)O
inchikey: UCRQJBCLZKHOGX-UHFFFAOYSA-N
iupac name: 2,4-Dimethylhexan-3-ol @en
formula: C8H18O
broader: CHEMONTID_0001661
pubchem: 98257
in scheme: Conceptschema Chemische Stoffen
notation: 24DC1y3C6ol
cas number: 13432-25-2
inchi: InChI=1S/C8H18O/c1-5-7(4)8(9)6(2)3/h6-9H,5H2,1-4H3

chloorthal
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C8H2Cl4O4
pubchem: 16493
notation: cltl
iupac name: 2,3,5,6-Tetrachloroterephthalic acid @en
cas number: 2136-79-0
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
broader: CHEMONTID_0001108
inchikey: KZCBXHSWMMIEQU-UHFFFAOYSA-N

strontium 90
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: [Sr]
formula: Sr
iupac name: strontium-90 @en
notation: Sr90
pubchem: 5486204
inchikey: CIOAGBVUUVVLOB-NJFSPNSNSA-N
inchi: InChI=1S/Sr/i1+2
in scheme: Conceptschema Chemische Stoffen
cas number: 10098-97-2
broader: CHEMONTID_0000428

n-hexadecaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: NC16a
inchi: InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
smiles: CCCCCCCCCCCCCCCC
formula: C16H34
pubchem: 11006
in scheme: Conceptschema Chemische Stoffen
cas number: 544-76-3
broader: CHEMONTID_0002500
iupac name: HEXADECANE @en
inchikey: DCAYPVUWAIABOU-UHFFFAOYSA-N

cholest-4-en-3-one
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 440
inchi: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3
cas number: 601-57-0
notation: chole4e3on
in scheme: Conceptschema Chemische Stoffen
iupac name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one @en
formula: C27H44O
broader: CHEMONTID_0001469
inchikey: NYOXRYYXRWJDKP-UHFFFAOYSA-N

1-naftaleenacetonitril
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C12H9N
inchikey: OQRMWUNUKVUHQO-UHFFFAOYSA-N
iupac name: 2-naphthalen-1-ylacetonitrile @en
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2
notation: 1Nafactntl
cas number: 132-75-2
pubchem: 8596
smiles: C1=CC=C2C(=C1)C=CC=C2CC#N

jomeprol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C17H22I3N3O8
broader: CHEMONTID_0004361
inchi: InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)
cas number: 78649-41-9
iupac name: N,N'-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide @en
inchikey: NJKDOADNQSYQEV-UHFFFAOYSA-N
pubchem: 3731
notation: jompl

2-benzylpyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000089
iupac name: 2-(Phenylmethyl)pyridine @en
in scheme: Conceptschema Chemische Stoffen
inchikey: PCFUWBOSXMKGIP-UHFFFAOYSA-N
smiles: C1=CC=C(C=C1)CC2=CC=CC=N2
notation: 2benzprdne
inchi: InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
formula: C12H11N
pubchem: 7581
cas number: 101-82-6

3-hydroxycarbofuran
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: RHSUJRQZTQNSLL-UHFFFAOYSA-N
broader: CHEMONTID_0004189
in scheme: Conceptschema Chemische Stoffen
smiles: CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C
cas number: 16655-82-6
iupac name: (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate @en
pubchem: 27975
inchi: InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)
formula: C12H15NO4
notation: 3HOxcbfrn

norfloxacine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C16H18FN3O3
inchi: InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
notation: norfxcne
inchikey: OGJPXUAPXNRGGI-UHFFFAOYSA-N
pubchem: 4539
iupac name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid @en
in scheme: Conceptschema Chemische Stoffen
cas number: 70458-96-7
broader: CHEMONTID_0002552

4,5-dichloor-2-nitroaniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C6H4Cl2N2O2
iupac name: 4,5-Dichloro-2-nitroaniline @en
inchi: InChI=1S/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
in scheme: Conceptschema Chemische Stoffen
notation: 45DCl2NO2An
cas number: 6641-64-1
pubchem: 81149
inchikey: FSGTULQLEVAYRS-UHFFFAOYSA-N
smiles: C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N
broader: CHEMONTID_0000036

acetylcysteine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 581
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)
inchikey: PWKSKIMOESPYIA-UHFFFAOYSA-N
smiles: CC(=O)NC(CS)C(=O)O
cas number: 616-91-1
formula: C5H9NO3S
notation: actctne
iupac name: 2-acetamido-3-sulfanylpropanoic acid @en
broader: CHEMONTID_0002402

aniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 53894-37-4
cas number: 17843-02-6
cas number: 146997-94-6
cas number: 37342-16-8
cas number: 62-53-3
broader: CHEMONTID_0000284
iupac name: Aniline @en
notation: An
in scheme: Conceptschema Chemische Stoffen
inchikey: PAYRUJLWNCNPSJ-UHFFFAOYSA-N
smiles: C1=CC=C(C=C1)N
formula: C6H7N
pubchem: 6115
inchi: InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2

3,3'-dimethoxybenzidine dihydrochloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000041
smiles: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[NH3+])OC)[NH3+].[Cl-].[Cl-]
in scheme: Conceptschema Chemische Stoffen
formula: C14H18Cl2N2O2
iupac name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline dihydrochloride @en
cas number: 20325-40-0
cas number: 111984-09-9
notation: 33DC1oxbzdnH
notation: 33DC1oxbzdnD
pubchem: 30113
inchikey: UXTIAFYTYOEQHV-UHFFFAOYSA-N
inchi: InChI=1S/C14H16N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h3-8H,15-16H2,1-2H3;2*1H
alternative label: 3,3'-dimethoxybenzidinehydrochloride

dimethyldioctadecylammoniumchloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 59111-82-9
cas number: 66359-86-2
cas number: 134191-39-2
cas number: 129119-79-5
cas number: 107-64-2
cas number: 12677-13-3
cas number: 14357-21-2
cas number: 76723-98-3
iupac name: dimethyl-dioctadecylazanium chloride @en
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]
inchikey: REZZEXDLIUJMMS-UHFFFAOYSA-M
formula: C38H80ClN
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004225
pubchem: 7879
notation: DODAC

cyclohexeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C1CCC=CC1
in scheme: Conceptschema Chemische Stoffen
notation: cycC6e
cas number: 110-83-8
cas number: 33004-06-7
cas number: 7493-04-1
cas number: 15650-80-3
broader: CHEMONTID_0000017
formula: C6H10
pubchem: 8079
inchi: InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
iupac name: Cyclohexene @en
inchikey: HGCIXCUEYOPUTN-UHFFFAOYSA-N

benazolin-ethyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 25059-80-7
inchi: InChI=1S/C11H10ClNO3S/c1-2-16-9(14)6-13-10-7(12)4-3-5-8(10)17-11(13)15/h3-5H,2,6H2,1H3
inchikey: WQRCEBAZAUAUQC-UHFFFAOYSA-N
smiles: CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=O
broader: CHEMONTID_0000394
notation: benzlnC2y
iupac name: ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate @en
formula: C11H10ClNO3S
in scheme: Conceptschema Chemische Stoffen
pubchem: 3034351

2,6-dinitrofenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C6H4N2O5
pubchem: 11312
iupac name: 2,6-Dinitrophenol @en
broader: CHEMONTID_0004505
smiles: C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]
inchikey: JCRIDWXIBSEOEG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 573-56-8
inchi: InChI=1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H
notation: 26DNO2Fol

tribenzylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 620-40-6
broader: CHEMONTID_0000185
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-phenyl-N,N-bis(phenylmethyl)methanamine @en
formula: C21H21N
inchikey: MXHTZQSKTCCMFG-UHFFFAOYSA-N
notation: TbenzAe
inchi: InChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
pubchem: 24321

jodosulfuron-methyl-natrium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: XFWOTCACTPMVSB-UHFFFAOYSA-M
cas number: 144550-36-7
formula: C14H13IN5NaO6S
notation: IsfrnC1yNa
in scheme: Conceptschema Chemische Stoffen
iupac name: ['sodium (Z)-(5-iodo-2-methoxycarbonylphenyl)sulfonylimino-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]methanolate', 'sodium (5-iodo-2-methoxycarbonylphenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide'] @en
pubchem: 74764357
inchi: InChI=1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22,23,24);/q;+1/p-1

1,2,3,4,5,6-hexathiepane
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000002
smiles: C1SSSSSS1
in scheme: Conceptschema Chemische Stoffen
inchikey: JMYWPEQXUQGQNF-UHFFFAOYSA-N
pubchem: 87012
iupac name: hexathiepane @en
inchi: InChI=1S/CH2S6/c1-2-4-6-7-5-3-1/h1H2
formula: CH2S6
notation: 123456Hxtpne
cas number: 17233-71-5

4-hydroxy-4-methyl-2-pentanon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
is referenced by: LUC IV 012
is referenced by: LUC IV 007
is referenced by: LUC IV 000
broader: CHEMONTID_0002913
inchi: InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
smiles: CC(=O)CC(C)(C)O
cas number: 123-42-2
comment: VLAR II bijl. 4.4.2
inchikey: SWXVUIWOUIDPGS-UHFFFAOYSA-N
iupac name: 4-Hydroxy-4-methylpentan-2-one @en
pubchem: 31256
in scheme: Conceptschema Chemische Stoffen
formula: C6H12O2
notation: 4Hox4C1y2C5o

2,6-dichloor-4-methylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 17077
inchi: InChI=1S/C7H6Cl2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
cas number: 2432-12-4
inchikey: YXEOEPYIBGTLML-UHFFFAOYSA-N
broader: CHEMONTID_0002564
iupac name: 2,6-Dichloro-4-methylphenol @en
notation: 26DCl4C1yFol
smiles: CC1=CC(=C(C(=C1)Cl)O)Cl
formula: C7H6Cl2O
in scheme: Conceptschema Chemische Stoffen

terbufos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13071-79-9
iupac name: tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
broader: CHEMONTID_0004164
notation: terbfs
inchikey: XLNZEKHULJKQBA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3
smiles: CCOP(=S)(OCC)SCSC(C)(C)C
pubchem: 25670
formula: C9H21O2PS3

trifenylfosfinesulfide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C18H15PS
cas number: 3878-45-3
notation: TFyffnS
broader: CHEMONTID_0001814
pubchem: 19758
in scheme: Conceptschema Chemische Stoffen
inchikey: VYNGFCUGSYEOOZ-UHFFFAOYSA-N
inchi: InChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
iupac name: tri(phenyl)-sulfanylidenephosphorane @en

2-ethoxy-2-methylpropaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 12512
notation: 2C2ox2C1yC3a
cas number: 637-92-3
formula: C6H14O
inchi: InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3
smiles: CCOC(C)(C)C
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001167
iupac name: 2-Ethoxy-2-methylpropane @en
inchikey: NUMQCACRALPSHD-UHFFFAOYSA-N
alternative label: ethyl-tert-butylether

acifluorfen-natriumzout
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 44072
inchi: InChI=1S/C14H7ClF3NO5.Na/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;/h1-6H,(H,20,21);/q;+1/p-1
iupac name: sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate @en
formula: C14H6ClF3NNaO5
inchikey: RVULBHWZFCBODE-UHFFFAOYSA-M
broader: CHEMONTID_0004155
cas number: 94128-03-7
cas number: 63748-59-4
cas number: 62476-59-9
in scheme: Conceptschema Chemische Stoffen
notation: acFfNazt

cyaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: CHNO
in scheme: Conceptschema Chemische Stoffen
inchikey: XLJMAIOERFSOGZ-UHFFFAOYSA-N
smiles: C(#N)O
pubchem: 540
iupac name: Cyanic acid @en
notation: Czr
broader: CHEMONTID_0000363
cas number: 420-05-3
inchi: InChI=1S/CHNO/c2-1-3/h3H

monooctyltin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: Octyl tin @en
formula: C8H17Sn
cas number: 15231-57-9
broader: CHEMONTID_0001523
pubchem: 5484215
inchikey: ZMHZSHHZIKJFIR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H17.Sn/c1-3-5-7-8-6-4-2;/h1,3-8H2,2H3;
smiles: CCCCCCCC[Sn]

2,3-dichloortolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C7H6Cl2
inchi: InChI=1S/C7H6Cl2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
cas number: 32768-54-0
smiles: CC1=C(C(=CC=C1)Cl)Cl
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
pubchem: 34702
iupac name: 1,2-dichloro-3-methylbenzene @en
inchikey: GWLKCPXYBLCEKC-UHFFFAOYSA-N
notation: 23DClTol

3-ethyltetracosaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004620
pubchem: 294709
iupac name: 3-Ethyltetracosane @en
cas number: 55282-17-2
notation: 3C2yC24a
inchikey: HCYGJXYCUXDCHD-UHFFFAOYSA-N
smiles: CCCCCCCCCCCCCCCCCCCCCC(CC)CC
in scheme: Conceptschema Chemische Stoffen
formula: C26H54

2-methyl-1-fenyl-2-propanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: 2C1y1Fy2C3ol
in scheme: Conceptschema Chemische Stoffen
inchikey: RIWRBSMFKVOJMN-UHFFFAOYSA-N
iupac name: 2-Methyl-1-phenylpropan-2-ol @en
broader: CHEMONTID_0002811
cas number: 100-86-7
pubchem: 7531
formula: C10H14O
inchi: InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
smiles: CC(C)(CC1=CC=CC=C1)O

1-ethylideenindeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C11H10/c1-2-9-7-8-10-5-3-4-6-11(9)10/h2-9H,1H2
iupac name: 1-ETHENYL-1H-INDENE @en
notation: 1C2yididn
broader: CHEMONTID_0000021
in scheme: Conceptschema Chemische Stoffen
inchikey: DNWJJJOJBSVOEL-UHFFFAOYSA-N
pubchem: 17183
cas number: 2471-83-2
smiles: C=CC1C=CC2=CC=CC=C12
formula: C11H10

thiofanox
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CC(C)(C)C(=NOC(=O)NC)CSC
iupac name: [(E)-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate @en
formula: C9H18N2O2S
pubchem: 5364932
inchikey: FZSVSABTBYGOQH-XFFZJAGNSA-N
notation: tofnx
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004752
inchi: InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7-
cas number: 39196-18-4

2-(fenylsulfonyl)aniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 2-phenylsulfonylaniline @en
pubchem: 77956
formula: C12H11NO2S
broader: CHEMONTID_0004233
inchikey: JBCUKQQIWSWEOK-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N
notation: 2FysfnAn
cas number: 4273-98-7
inchi: InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2

diazacholesterol-dihydrochloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: (3S,9S,14S,17S)-17-(3-dimethylaminopropyl-methylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol dihydrochloride @en
cas number: 1249-84-9
pubchem: 14729
inchikey: BZFBDUQOBQHBSZ-BJRTZXQSSA-N
formula: C25H46Cl2N2O
broader: CHEMONTID_0003053
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C25H44N2O.2ClH/c1-24-13-11-19(28)17-18(24)7-8-20-21-9-10-23(25(21,2)14-12-22(20)24)27(5)16-6-15-26(3)4;;/h7,19-23,28H,6,8-17H2,1-5H3;2*1H/t19-,20?,21-,22-,23-,24?,25?;;/m0../s1
notation: DazclsrDHCl

diallaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 17708-57-5
cas number: 2303-16-4
pubchem: 5284376
iupac name: ['S-[(Z)-2,3-dichloroprop-2-enyl] (di(propan-2-yl)amino)methanethioate', 'S-(2,3-dichloroprop-2-enyl) (di(propan-2-yl)amino)methanethioate'] @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl
formula: C10H17Cl2NOS
broader: CHEMONTID_0001368
inchikey: SPANOECCGNXGNR-UITAMQMPSA-N
notation: Dalt
inchi: InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-

clindamycine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 24620-78-8
cas number: 16669-21-9
cas number: 18323-44-9
cas number: 13441-63-9
cas number: 24696-19-3
in scheme: Conceptschema Chemische Stoffen
notation: clindmcne
broader: CHEMONTID_0004322
iupac name: (2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide @en
inchikey: KDLRVYVGXIQJDK-NOWPCOIGSA-N
formula: C18H33ClN2O5S
pubchem: 29029

2,3-dinitrofenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C6H4N2O5
cas number: 66-56-8
in scheme: Conceptschema Chemische Stoffen
pubchem: 6191
iupac name: 2,3-DINITROPHENOL @en
inchi: InChI=1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H
broader: CHEMONTID_0004505
smiles: C1=CC(=C(C(=C1)O)[N+](=O)[O-])[N+](=O)[O-]
notation: 23DNO2Fol
inchikey: MHKBMNACOMRIAW-UHFFFAOYSA-N

iso-valeriaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 503-74-2
cas number: 92634-50-9
cas number: 35915-22-1
formula: C5H10O2
notation: ivlrazr
smiles: CC(C)CC(=O)O
inchi: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
in scheme: Conceptschema Chemische Stoffen
pubchem: 10430
broader: CHEMONTID_0003544
iupac name: 3-Methylbutanoic acid @en
inchikey: GWYFCOCPABKNJV-UHFFFAOYSA-N

iso-butylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
is referenced by: LUC IV 012
is referenced by: LUC IV 004
cas number: 110-19-0
notation: iC4yactt
inchikey: GJRQTCIYDGXPES-UHFFFAOYSA-N
broader: CHEMONTID_0001238
inchi: InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
formula: C6H12O2
pubchem: 8038
iupac name: 2-Methylpropyl acetate @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)COC(=O)C

amoxicilline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: MQXQVCLAUDMCEF-CWLIKTDRSA-N
formula: C16H25N3O8S
cas number: 26787-78-0
cas number: 61336-70-7
broader: CHEMONTID_0000174
in scheme: Conceptschema Chemische Stoffen
iupac name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate @en
inchi: InChI=1S/C16H19N3O5S.3H2O/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;;;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);3*1H2/t9-,10-,11+,14-;;;/m1.../s1
notation: amxclne
pubchem: 62883

2,2,3,3-tetramethylpentaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCC(C)(C)C(C)(C)C
in scheme: Conceptschema Chemische Stoffen
notation: 2233T4C1yC5a
pubchem: 92723
broader: CHEMONTID_0004620
iupac name: 2,2,3,3-Tetramethylpentane @en
inchi: InChI=1S/C9H20/c1-7-9(5,6)8(2,3)4/h7H2,1-6H3
formula: C9H20
inchikey: QUKOJKFJIHSBKV-UHFFFAOYSA-N
cas number: 7154-79-2

1,2-cyclohexaandiol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: 12ccC6aDol
inchikey: PFURGBBHAOXLIO-UHFFFAOYSA-N
cas number: 1792-81-0
cas number: 54383-22-1
cas number: 931-17-9
pubchem: 13601
iupac name: Cyclohexane-1,2-diol @en
inchi: InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2
in scheme: Conceptschema Chemische Stoffen
smiles: C1CCC(C(C1)O)O
formula: C6H12O2
broader: CHEMONTID_0002647

dibenzofuran
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 132-64-9
cas number: 214827-48-2
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C2C(=C1)C3=CC=CC=C3O2
inchikey: TXCDCPKCNAJMEE-UHFFFAOYSA-N
pubchem: 568
broader: CHEMONTID_0000015
iupac name: dibenzofuran @en
inchi: InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
notation: Dbzfrn
formula: C12H8O

cyprodinil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C14H15N3
notation: cypdnl
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3
cas number: 121552-61-2
pubchem: 86367
inchi: InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
broader: CHEMONTID_0000284
inchikey: HAORKNGNJCEJBX-UHFFFAOYSA-N
iupac name: 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine @en

siliciumdioxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/O2Si/c1-3-2
cas number: 15468-32-3
cas number: 70594-95-5
cas number: 17679-64-0
cas number: 105269-70-3
cas number: 14464-46-1
cas number: 1317-79-9
cas number: 122304-49-8
cas number: 12425-26-2
cas number: 1317-94-8
cas number: 15723-40-7
cas number: 14808-60-7
cas number: 112945-52-5
cas number: 92283-58-4
cas number: 67256-35-3
cas number: 99439-28-8
cas number: 98253-25-9
cas number: 1317-48-2
cas number: 7631-86-9
cas number: 122304-48-7
cas number: 87347-84-0
cas number: 50926-93-7
cas number: 12414-70-9
formula: O2Si
alternative label: silicaat
inchikey: VYPSYNLAJGMNEJ-UHFFFAOYSA-N
notation: SiO2
broader: CHEMONTID_0000534
iupac name: Dioxosilane @en
pubchem: 24261
smiles: O=[Si]=O
in scheme: Conceptschema Chemische Stoffen

triadimenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 41368
cas number: 55219-65-3
iupac name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol @en
in scheme: Conceptschema Chemische Stoffen
notation: Tadmnl
formula: C14H18ClN3O2
broader: CHEMONTID_0002341
inchikey: BAZVSMNPJJMILC-UHFFFAOYSA-N
inchi: InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3

eicosaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: C20a
cas number: 112-95-8
broader: CHEMONTID_0002500
formula: C20H42
in scheme: Conceptschema Chemische Stoffen
iupac name: Icosane @en
smiles: CCCCCCCCCCCCCCCCCCCC
pubchem: 8222
inchikey: CBFCDTFDPHXCNY-UHFFFAOYSA-N

eicosylcyclohexaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: icosylcyclohexane @en
formula: C26H52
inchikey: PSPNTGGVAYLSJO-UHFFFAOYSA-N
notation: C20yccC6a
smiles: CCCCCCCCCCCCCCCCCCCCC1CCCCC1
broader: CHEMONTID_0001016
pubchem: 20511
cas number: 4443-55-4
in scheme: Conceptschema Chemische Stoffen

monocarbamidedihydrogensulfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 159909
broader: CHEMONTID_0001180
notation: MCDS
in scheme: Conceptschema Chemische Stoffen
iupac name: sulfuric acid; urea @en
cas number: 21351-39-3
formula: CH6N2O5S
smiles: C(=O)(N)N.OS(=O)(=O)O
inchikey: SSBRSHIQIANGKS-UHFFFAOYSA-N
inchi: InChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)

2,4,6-tri-tert-butylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: PFEFOYRSMXVNEL-UHFFFAOYSA-N
cas number: 50356-20-2
cas number: 19879-87-9
cas number: 53320-88-0
cas number: 1333-60-4
cas number: 732-26-3
cas number: 11100-56-4
inchi: InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3
pubchem: 12902
notation: 246TttC4yFol
iupac name: 2,4,6-tritert-butylphenol @en
in scheme: Conceptschema Chemische Stoffen
formula: C18H30O
broader: CHEMONTID_0002811

6:2/8:2 fluortelomerfosfaat diester
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C18H9F30O4P/c19-5(20,7(23,24)9(27,28)11(31,32)12(33,34)14(37,38)16(41,42)18(46,47)48)1-3-51-53(49,50)52-4-2-6(21,22)8(25,26)10(29,30)13(35,36)15(39,40)17(43,44)45/h1-4H2,(H,49,50)
pubchem: 101536705
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003459
formula: C18H9F30O4P
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl hydrogen phosphate @en
cas number: 943913-15-3
inchikey: KHLRYLUKBJEYFH-UHFFFAOYSA-N
notation: 6:2/8:2 diPAP

2-ethylnaftaleen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CCC1=CC2=CC=CC=C2C=C1
inchikey: RJTJVVYSTUQWNI-UHFFFAOYSA-N
broader: CHEMONTID_0000023
notation: 2C2yNaf
pubchem: 13652
formula: C12H12
inchi: InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
iupac name: 2-Ethylnaphthalene @en
cas number: 939-27-5

verdox
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: FINOAUDUYKVGDS-UHFFFAOYSA-N
inchi: InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3
smiles: CC(=O)OC1CCCCC1C(C)(C)C
formula: C12H22O2
broader: CHEMONTID_0001238
cas number: 88-41-5
pubchem: 62334
in scheme: Conceptschema Chemische Stoffen
iupac name: (2-tert-butylcyclohexyl) acetate @en
notation: verdx

etoposide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 136598-18-0
cas number: 201594-04-9
cas number: 51854-34-3
cas number: 33419-42-0
cas number: 76576-58-4
cas number: 35317-32-9
cas number: 121471-01-0
iupac name: (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one @en
notation: etpsde
inchikey: VJJPUSNTGOMMGY-MRVIYFEKSA-N
formula: C29H32O13
pubchem: 36462
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000047
inchi: InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1

4:2 fluortelomeersulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 20734543
cas number: 757124-72-4
in scheme: Conceptschema Chemische Stoffen
inchikey: TXGIGTRUEITPSC-UHFFFAOYSA-N
inchi: InChI=1S/C6H5F9O3S/c7-3(8,1-2-19(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H,16,17,18)
formula: C6H5F9O3S
iupac name: 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonic acid @en
notation: 4:2 FTS
broader: CHEMONTID_0001179

furalaxyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3
cas number: 57646-30-7
cas number: 66063-54-5
formula: C17H19NO4
inchikey: CIEXPHRYOLIQQD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004756
iupac name: methyl 2-[(2,6-dimethylphenyl)-(furan-2-carbonyl)amino]propanoate @en
pubchem: 42504
notation: furlxl

dihydrotestosterone
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C
in scheme: Conceptschema Chemische Stoffen
cas number: 521-18-6
cas number: 12040-51-6
cas number: 28801-96-9
pubchem: 10635
formula: C19H30O2
inchi: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
broader: CHEMONTID_0001467
inchikey: NVKAWKQGWWIWPM-ABEVXSGRSA-N
notation: DHT
iupac name: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one @en

cerium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7440-45-1
cas number: 196959-41-8
cas number: 110123-49-4
is referenced by: WAC III B 002
inchikey: GWXLDORMOJMVQZ-UHFFFAOYSA-N
notation: Ce
pubchem: 23974
formula: Ce
inchi: InChI=1S/Ce
smiles: [Ce]
broader: CHEMONTID_0000429
iupac name: CERIUM @en
in scheme: Conceptschema Chemische Stoffen

bis(trichloormethyl)sulfon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: trichloro-(trichloromethylsulfonyl)methane @en
inchikey: YBNLWIZAWPBUKQ-UHFFFAOYSA-N
inchi: InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8
cas number: 3064-70-8
in scheme: Conceptschema Chemische Stoffen
notation: bisTClC1ysfn
formula: C2Cl6O2S
broader: CHEMONTID_0000505
pubchem: 62478
smiles: C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl

chloorprofam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)OC(=O)NC1=CC(=CC=C1)Cl
formula: C10H12ClNO2
iupac name: propan-2-yl N-(3-chlorophenyl)carbamate @en
cas number: 11097-02-2
cas number: 101-21-3
notation: Clpfm
alternative label: chlorpropham
pubchem: 2728
inchikey: CWJSHJJYOPWUGX-UHFFFAOYSA-N
broader: CHEMONTID_0004714
inchi: InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)

1-propanol-2-chloorfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 22522
cas number: 6145-73-9
cas number: 101551-02-4
iupac name: Tris(2-chloropropyl) phosphate @en
inchi: InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3
in scheme: Conceptschema Chemische Stoffen
smiles: CC(COP(=O)(OCC(C)Cl)OCC(C)Cl)Cl
notation: 1C3ol2ClPO4
formula: C9H18Cl3O4P
inchikey: GTRSAMFYSUBAGN-UHFFFAOYSA-N
broader: CHEMONTID_0003460

1,3-dichloor-1,1,2,3,3-pentafluorpropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: C(C(F)(F)Cl)(C(F)(F)Cl)F
inchi: InChI=1S/C3HCl2F5/c4-2(7,8)1(6)3(5,9)10/h1H
pubchem: 62318
inchikey: IDGBOLGHJQQORA-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
formula: C3HCl2F5
iupac name: 1,3-DICHLORO-1,1,2,3,3-PENTAFLUOROPROPANE @en
notation: HCFK225ea
cas number: 136013-79-1

trimethylthiofosfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: XWSLYQXUTWUIKM-UHFFFAOYSA-N
notation: TC1ytoPO4
broader: CHEMONTID_0003384
formula: C3H9O3PS
cas number: 152-18-1
iupac name: trimethoxy-sulfanylidenephosphorane @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 9038
smiles: COP(=S)(OC)OC
inchi: InChI=1S/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3

benzo(c)fluoreen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: FRIJWEQBTIZQMD-UHFFFAOYSA-N
cas number: 205-12-9
cas number: 61089-87-0
cas number: 30777-20-9
notation: BcFle
broader: CHEMONTID_0000020
pubchem: 9150
smiles: C1C2=C(C3=CC=CC=C31)C4=CC=CC=C4C=C2
formula: C17H12
in scheme: Conceptschema Chemische Stoffen
iupac name: 7H-Benzo[c]fluorene @en
inchi: InChI=1S/C17H12/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2

1,3-diethylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: AFZZYIJIWUTJFO-UHFFFAOYSA-N
cas number: 141-93-5
cas number: 68584-01-0
pubchem: 8864
inchi: InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3
formula: C10H14
in scheme: Conceptschema Chemische Stoffen
smiles: CCC1=CC(=CC=C1)CC
notation: 13DC2yBen
iupac name: 1,3-Diethylbenzene @en
broader: CHEMONTID_0002279

2,4,6-tribroomanisol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
notation: 246TBransl
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000138
iupac name: 1,3,5-tribromo-2-methoxybenzene @en
formula: C7H5Br3O
pubchem: 11839
cas number: 607-99-8
inchikey: YXTRCOAFNXQTKL-UHFFFAOYSA-N
smiles: COC1=C(C=C(C=C1Br)Br)Br

sulfamethoxypyridazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
in scheme: Conceptschema Chemische Stoffen
pubchem: 5330
formula: C11H12N4O3S
broader: CHEMONTID_0001925
inchi: InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
cas number: 80-35-3
inchikey: VLYWMPOKSSWJAL-UHFFFAOYSA-N
iupac name: 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide @en

2,6-diamino-4-nitrotolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 59229-75-3
broader: CHEMONTID_0000036
inchi: InChI=1S/C7H9N3O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,8-9H2,1H3
pubchem: 91671
inchikey: SPOWAUDUGZVURQ-UHFFFAOYSA-N
formula: C7H9N3O2
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C=C(C=C1N)[N+](=O)[O-])N
notation: 26DAo4NO2Tol
iupac name: 2-methyl-5-nitrobenzene-1,3-diamine @en

1,2-dihydroxybenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 16474-90-1
cas number: 120-80-9
cas number: 37349-32-9
cas number: 12385-08-9
cas number: 16474-89-8
inchikey: YCIMNLLNPGFGHC-UHFFFAOYSA-N
pubchem: 289
broader: CHEMONTID_0000135
formula: C6H6O2
notation: 12DHOxBen
smiles: C1=CC=C(C(=C1)O)O
in scheme: Conceptschema Chemische Stoffen
iupac name: benzene-1,2-diol @en
inchi: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

1-heptanal
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0002229
cas number: 111-71-7
inchikey: FXHGMKSSBGDXIY-UHFFFAOYSA-N
inchi: InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
in scheme: Conceptschema Chemische Stoffen
notation: 1C7al
formula: C7H14O
pubchem: 8130
smiles: CCCCCCC=O
iupac name: Heptanal @en

fomesafen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzenecarboximidate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 108731-70-0
cas number: 72178-02-0
notation: fomsfn
formula: C15H9ClF3N2NaO6S
broader: CHEMONTID_0004155
inchikey: CRHGSCXKJPJNAB-UHFFFAOYSA-M
pubchem: 60267

hexafluorpropyleen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 8302
notation: HFC3ye
smiles: C(=C(F)F)(C(F)(F)F)F
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,1,2,3,3,3-hexafluoroprop-1-ene @en
inchikey: HCDGVLDPFQMKDK-UHFFFAOYSA-N
formula: C3F6
inchi: InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9
cas number: 116-15-4
broader: CHEMONTID_0002861

difenylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: DFyAe
iupac name: N-Phenylaniline @en
inchi: InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
broader: CHEMONTID_0000284
cas number: 86352-05-8
cas number: 122-39-4
pubchem: 11487
smiles: C1=CC=C(C=C1)NC2=CC=CC=C2
inchikey: DMBHHRLKUKUOEG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C12H11N

1,1,1-trichloorethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: 111TClC2a
broader: CHEMONTID_0001516
is referenced by: LUC IV 000
is referenced by: LUC IV 002
is referenced by: LUC IV 011
formula: C2H3Cl3
comment: VLAR II Art. 5.4.3.1.4
comment: VLAR II bijl. 4.4.2
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,1,1-Trichloroethane @en
inchi: InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
smiles: CC(Cl)(Cl)Cl
cas number: 74552-83-3
cas number: 71-55-6
pubchem: 6278
inchikey: UOCLXMDMGBRAIB-UHFFFAOYSA-N

hexachloorethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 1,1,1,2,2,2-Hexachloroethane @en
in scheme: Conceptschema Chemische Stoffen
formula: C2Cl6
inchi: InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8
smiles: C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl
pubchem: 6214
cas number: 67-72-1
broader: CHEMONTID_0001516
inchikey: VHHHONWQHHHLTI-UHFFFAOYSA-N
notation: HxClC2a

1,2-dibroom-3-chloorpropaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 7280
inchi: InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2
cas number: 105567-86-0
cas number: 96-12-8
cas number: 67708-83-2
in scheme: Conceptschema Chemische Stoffen
smiles: C(C(CBr)Br)Cl
inchikey: WBEJYOJJBDISQU-UHFFFAOYSA-N
broader: CHEMONTID_0001516
formula: C3H5Br2Cl
notation: 12DBr3ClC3a
iupac name: 1,2-Dibromo-3-chloropropane @en

2,7-dimethylquinoline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: QXKPLNCZSFACPU-UHFFFAOYSA-N
inchi: InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3
notation: 27DC1yqnlne
formula: C11H11N
smiles: CC1=CC2=C(C=C1)C=CC(=N2)C
in scheme: Conceptschema Chemische Stoffen
pubchem: 7138
broader: CHEMONTID_0001253
iupac name: 2,7-Dimethylquinoline @en
cas number: 93-37-8

demeton-s-methylsulfon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C6H15O5PS2
inchi: InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3
notation: demtSC1ysfn
broader: CHEMONTID_0000505
pubchem: 28213
smiles: CCS(=O)(=O)CCSP(=O)(OC)OC
in scheme: Conceptschema Chemische Stoffen
cas number: 17040-19-6
inchikey: PZIRJMYRYORVIT-UHFFFAOYSA-N
alternative label: demeton-S-methylsulfon
iupac name: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane @en

2-chloor-6-methylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003964
iupac name: 2-Chloro-6-methylaniline @en
cas number: 87-63-8
inchi: InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
notation: 2Cl6C1yAn
pubchem: 6897
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C(=CC=C1)Cl)N
inchikey: WFNLHDJJZSJARK-UHFFFAOYSA-N
formula: C7H8ClN

bismuth 214
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14733-03-0
inchi: InChI=1S/Bi/i1+5
pubchem: 6328549
smiles: [Bi]
in scheme: Conceptschema Chemische Stoffen
formula: Bi
notation: Bi214
broader: CHEMONTID_0000427
iupac name: bismuth-214 @en
inchikey: JCXGWMGPZLAOME-BKFZFHPZSA-N

novaluron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002341
cas number: 116714-46-6
pubchem: 93541
formula: C17H9ClF8N2O4
notation: novlrn
inchikey: NJPPVKZQTLUDBO-UHFFFAOYSA-N

xenon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/Xe
broader: CHEMONTID_0000433
pubchem: 23991
notation: Xe
inchikey: FHNFHKCVQCLJFQ-UHFFFAOYSA-N
formula: Xe
in scheme: Conceptschema Chemische Stoffen
iupac name: XENON @en
smiles: [Xe]
cas number: 7440-63-3

dapson
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N
pubchem: 2955
iupac name: 4-(4-aminophenyl)sulfonylaniline @en
formula: C12H12N2O2S
inchi: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
alternative label: dapsone
cas number: 80-08-0
notation: dapsn
inchikey: MQJKPEGWNLWLTK-UHFFFAOYSA-N
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen

methaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 74-82-8
alternative label: methaan (CH4)
inchi: InChI=1S/CH4/h1H4
broader: CHEMONTID_0002500
smiles: C
inchikey: VNWKTOKETHGBQD-UHFFFAOYSA-N
pubchem: 297
formula: CH4
iupac name: methane @en
notation: C1a
comment: VLAR II (D1, definities broeikasgassen)
comment: VLAR III (D3, art 3.12.5.1.7) 'CH4-gehalte'
in scheme: Conceptschema Chemische Stoffen

heptadecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 629-78-7
inchikey: NDJKXXJCMXVBJW-UHFFFAOYSA-N
notation: C17a
pubchem: 12398
iupac name: Heptadecane @en
formula: C17H36
broader: CHEMONTID_0002500
inchi: InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCC

2,3,4-trichloorfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
cas number: 15950-66-0
formula: C6H3Cl3O
notation: 234TClFol
in scheme: Conceptschema Chemische Stoffen
inchikey: HSQFVBWFPBKHEB-UHFFFAOYSA-N
smiles: C1=CC(=C(C(=C1O)Cl)Cl)Cl
broader: CHEMONTID_0002772
iupac name: 2,3,4-TRICHLOROPHENOL @en
pubchem: 27582

2,4,4-trimethylpenteen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CC(=C)CC(C)(C)C
pubchem: 7868
broader: CHEMONTID_0004622
inchikey: FXNDIJDIPNCZQJ-UHFFFAOYSA-N
cas number: 25167-70-8
cas number: 12002-23-2
cas number: 107-39-1
notation: 244TC1yC5e
formula: C8H16
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,4,4-Trimethylpent-1-ene @en
inchi: InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3

o-cresol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: ocresl
alternative label: 2-methylfenol (o-cresol)
alternative label: 2-methylfenol
cas number: 95-48-7
formula: C7H8O
inchikey: QWVGKYWNOKOFNN-UHFFFAOYSA-N
broader: CHEMONTID_0001274
pubchem: 335
inchi: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
iupac name: 2-Methylphenol @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC=CC=C1O

clofibraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: clofbt
formula: C12H15ClO3
inchi: InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
iupac name: Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate @en
smiles: CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl
cas number: 637-07-0
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000417
pubchem: 2796
inchikey: KNHUKKLJHYUCFP-UHFFFAOYSA-N

decyl 9-octadecenoaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC
notation: C10y9C18enat
broader: CHEMONTID_0003322
cas number: 3687-46-5
inchikey: SASYSVUEVMOWPL-NXVVXOECSA-N
iupac name: decyl (Z)-octadec-9-enoate @en
formula: C28H54O2
pubchem: 5363234
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-27H2,1-2H3/b16-15-

penicilline v
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate @en
cas number: 87-08-1
cas number: 132-98-9
cas number: 8059-73-2
broader: CHEMONTID_0001189
inchikey: HCTVWSOKIJULET-LQDWTQKMSA-M
in scheme: Conceptschema Chemische Stoffen
notation: penclnV
inchi: InChI=1S/C16H18N2O5S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1
formula: C16H17KN2O5S
pubchem: 8605
alternative label: penicilline V

methamidofos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0004665
cas number: 10265-92-6
cas number: 65960-97-6
cas number: 115182-35-9
pubchem: 4096
notation: mtmdfs
smiles: COP(=O)(N)SC
in scheme: Conceptschema Chemische Stoffen
inchikey: NNKVPIKMPCQWCG-UHFFFAOYSA-N
formula: C2H8NO2PS
inchi: InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)
iupac name: (amino-methylsulfanylphosphoryl)oxymethane @en

plutonium 238
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13981-16-3
iupac name: plutonium-238 @en
inchikey: OYEHPCDNVJXUIW-VENIDDJXSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: [Pu]
inchi: InChI=1S/Pu/i1-6
notation: Pu238
pubchem: 61709
formula: Pu
broader: CHEMONTID_0000430

N,2-dimethylaniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CC1=CC=CC=C1NC
notation: N2DC1yAn
inchikey: GUAWMXYQZKVRCW-UHFFFAOYSA-N
alternative label: n,2-dimethylaniline
cas number: 611-21-2
formula: C8H11N
iupac name: N,2-Dimethylaniline @en
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
pubchem: 69137
inchi: InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3

ethylsulfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C2H6O4S
in scheme: Conceptschema Chemische Stoffen
cas number: 15066-87-2
cas number: 540-82-9
inchikey: KIWBPDUYBMNFTB-UHFFFAOYSA-N
pubchem: 6004
notation: C2ySO4
smiles: CCOS(=O)(=O)O
broader: CHEMONTID_0001185
iupac name: ethyl hydrogen sulfate @en
inchi: InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)

indium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 5359967
formula: In
smiles: [In]
broader: CHEMONTID_0000427
inchi: InChI=1S/In
inchikey: APFVFJFRJDLVQX-UHFFFAOYSA-N
notation: In
in scheme: Conceptschema Chemische Stoffen
cas number: 7440-74-6
iupac name: INDIUM @en

ijzer 55
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: [Fe]
pubchem: 26815
inchi: InChI=1S/Fe/i1-1
notation: Fe55
cas number: 14681-59-5
inchikey: XEEYBQQBJWHFJM-BJUDXGSMSA-N
iupac name: iron-55 @en
broader: CHEMONTID_0000426
formula: Fe
in scheme: Conceptschema Chemische Stoffen

dithiobiuret
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C2H5N3S2
in scheme: Conceptschema Chemische Stoffen
notation: Dtoburt
smiles: C(=NC(=N)S)(N)S
cas number: 541-53-7
cas number: 26641-95-2
iupac name: carbamothioylthiourea @en
inchikey: JIRRNZWTWJGJCT-UHFFFAOYSA-N
broader: CHEMONTID_0001209
inchi: InChI=1S/C2H5N3S2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)
pubchem: 10933

manam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 10198-45-5
cas number: 60226-96-2
cas number: 15339-36-3
cas number: 7786-33-6
cas number: 6379-47-1
notation: manm
smiles: CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Mn+2]
inchikey: KQUQKVGNBPTEFO-UHFFFAOYSA-L
inchi: InChI=1S/2C3H7NS2.Mn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
iupac name: dimethylaminomethanedithioate; manganese(+2) cation @en
formula: C6H12MnN2S4
in scheme: Conceptschema Chemische Stoffen
pubchem: 61792
broader: CHEMONTID_0003997

ibuprofen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 3672
broader: CHEMONTID_0002551
inchi: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
notation: ibpfn
smiles: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
cas number: 58560-75-1
cas number: 15687-27-1
inchikey: HEFNNWSXXWATRW-UHFFFAOYSA-N
formula: C13H18O2
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-[4-(2-methylpropyl)phenyl]propanoic acid @en

1-hydroxynaftaleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: naphthalen-1-ol @en
broader: CHEMONTID_0002441
smiles: C1=CC=C2C(=C1)C=CC=C2O
in scheme: Conceptschema Chemische Stoffen
inchikey: KJCVRFUGPWSIIH-UHFFFAOYSA-N
cas number: 50356-21-3
cas number: 90-15-3
formula: C10H8O
pubchem: 7005
inchi: InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
notation: 1HOxNaf

sulprofos
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC
inchi: InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3
formula: C12H19O2PS3
in scheme: Conceptschema Chemische Stoffen
iupac name: ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidenephosphorane @en
broader: CHEMONTID_0004742
inchikey: JXHJNEJVUNHLKO-UHFFFAOYSA-N
notation: sulpfs
cas number: 35400-43-2
pubchem: 37125

fenylmethylethanolamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CN(CCO)C1=CC=CC=C1
iupac name: 2-(methyl-phenylamino)ethanol @en
inchi: InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
pubchem: 62340
formula: C9H13NO
in scheme: Conceptschema Chemische Stoffen
notation: FyC1yC2olAe
cas number: 93-90-3
broader: CHEMONTID_0003901
inchikey: VIIZJXNVVJKISZ-UHFFFAOYSA-N

bupropion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C
inchi: InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
in scheme: Conceptschema Chemische Stoffen
cas number: 34841-39-9
cas number: 34911-55-2
pubchem: 444
notation: buppon
formula: C13H18ClNO
inchikey: SNPPWIUOZRMYNY-UHFFFAOYSA-N
broader: CHEMONTID_0004298
iupac name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one @en

disulfoton
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C8H19O2PS3
cas number: 298-04-4
inchi: InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
notation: Dsftn
pubchem: 3118
smiles: CCOP(=S)(OCC)SCCSCC
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004164
iupac name: diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidenephosphorane @en
inchikey: DOFZAZXDOSGAJZ-UHFFFAOYSA-N

thiacloprid
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C10H9ClN4S
broader: CHEMONTID_0004532
iupac name: [3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide @en
pubchem: 115224
smiles: C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl
inchi: InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2
notation: thiacpd
cas number: 111988-49-9
inchikey: HOKKPVIRMVDYPB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

oxacilline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: (2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid @en
notation: Oaclne
pubchem: 6196
formula: C19H19N3O5S
inchi: InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1
in scheme: Conceptschema Chemische Stoffen
cas number: 66-79-5
inchikey: UWYHMGVUTGAWSP-JKIFEVAISA-N
broader: CHEMONTID_0004830

1-(2,4-dimethylfenyl) ethanon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: 124DC1yFyC2o
pubchem: 6985
inchi: InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3
smiles: CC1=CC(=C(C=C1)C(=O)C)C
cas number: 89-74-7
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
inchikey: HSDSKVWQTONQBJ-UHFFFAOYSA-N
formula: C10H12O
iupac name: 1-(2,4-DIMETHYLPHENYL)ETHANONE @en

chloropreen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: Clpn
cas number: 184963-09-5
cas number: 126-99-8
pubchem: 31369
inchi: InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
broader: CHEMONTID_0002863
smiles: C=CC(=C)Cl
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Chlorobuta-1,3-diene @en
formula: C4H5Cl
alternative label: 2-chloor-1,3-butadieen
inchikey: YACLQRRMGMJLJV-UHFFFAOYSA-N

1,2,3,4,6,7,8,9-octachloordibenzofuraan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
alternative label: octachloordibenzofuraan
alternative label: octachloordibenzofuraan (ocdf)
alternative label: octachloordibenzofuran
formula: C12Cl8O
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF135
iupac name: 1,2,3,4,6,7,8,9-Octachlorodibenzofuran @en
inchi: InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15
cas number: 39001-02-0
pubchem: 38200
inchikey: RHIROFAGUQOFLU-UHFFFAOYSA-N
is referenced by: LUC VI 002

sulfide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: S
alternative label: sulfide (opgeloste en in zuur milieu oplosbare)
is referenced by: WAC III C 040
is referenced by: WAC III C 041
in scheme: Conceptschema Chemische Stoffen
pubchem: 29109
cas number: 18496-25-8
formula: S-2
broader: CHEMONTID_0000555
smiles: [S-2]
iupac name: Sulfide @en
inchikey: UCKMPCXJQFINFW-UHFFFAOYSA-N
inchi: InChI=1S/S/q-2

1-aminooctaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: IOQPZZOEVPZRBK-UHFFFAOYSA-N
cas number: 68037-94-5
cas number: 191113-89-0
cas number: 111-86-4
formula: C8H19N
smiles: CCCCCCCCN
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
iupac name: octan-1-amine @en
notation: 1AoC8a
pubchem: 8143
broader: CHEMONTID_0000469

antimoon 125
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: antimony-125 @en
pubchem: 6335317
smiles: [Sb]
inchikey: WATWJIUSRGPENY-AKLPVKDBSA-N
inchi: InChI=1S/Sb/i1+3
in scheme: Conceptschema Chemische Stoffen
cas number: 14234-35-6
formula: Sb
notation: Sb125
broader: CHEMONTID_0000431

empenthrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001563
cas number: 98311-74-1
cas number: 54406-48-3
cas number: 96895-17-9
cas number: 92836-82-3
notation: emptn
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3/b13-10+
in scheme: Conceptschema Chemische Stoffen
inchikey: YUGWDVYLFSETPE-JLHYYAGUSA-N
pubchem: 6434488
smiles: CCC=C(C)C(C#C)OC(=O)C1C(C1(C)C)C=C(C)C
iupac name: [(E)-4-methylhept-4-en-1-yn-3-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en

som HBCD (technisch mengsel, niet-gespecif. broom-posities)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 1,3,5,7,9,11-hexabromocyclododecane @en
smiles: C1C(CC(CC(CC(CC(CC1Br)Br)Br)Br)Br)Br
in scheme: Conceptschema Chemische Stoffen
notation: HBCD
cas number: 25637-99-4
cas number: 22374-57-8
broader: CHEMONTID_0001515
inchikey: LEOCKULGXOQRTQ-UHFFFAOYSA-N
alternative label: som hbcd (technisch mengsel, niet-gespecif. broom-posities)
inchi: InChI=1S/C12H18Br6/c13-7-1-8(14)3-10(16)5-12(18)6-11(17)4-9(15)2-7/h7-12H,1-6H2
pubchem: 33121
formula: C12H18Br6

monobutyltin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: BUTYLSTANNANE @en
inchi: InChI=1S/C4H9.Sn.3H/c1-3-4-2;;;;/h1,3-4H2,2H3;;;;
inchikey: FAOSYNUKPVJLNZ-UHFFFAOYSA-N
cas number: 2406-65-7
broader: CHEMONTID_0004150
pubchem: 16996
smiles: CCCC[SnH3]
formula: C4H12Sn

methylacrylaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 7294
cas number: 96-33-3
cas number: 102256-29-1
comment: VLAR II bijl. 4.4.2
is referenced by: LUC IV 004
is referenced by: LUC IV 000
is referenced by: LUC IV 012
inchikey: BAPJBEWLBFYGME-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004452
iupac name: methyl prop-2-enoate @en
formula: C4H6O2
smiles: COC(=O)C=C
notation: C1yaclt
inchi: InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3

fluridon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 43079
cas number: 59756-60-4
iupac name: 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one @en
formula: C19H14F3NO
inchi: InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002317
notation: flurdn
inchikey: YWBVHLJPRPCRSD-UHFFFAOYSA-N

propazine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: propzne
broader: CHEMONTID_0004734
inchi: InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)
smiles: CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C
in scheme: Conceptschema Chemische Stoffen
pubchem: 4937
iupac name: 6-chloro-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine @en
cas number: 139-40-2
inchikey: WJNRPILHGGKWCK-UHFFFAOYSA-N
formula: C9H16ClN5

tetrabutylammonium cyanide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N
inchikey: KRRBFUJMQBDDPR-UHFFFAOYSA-N
formula: C17H36N2
iupac name: tetrabutylazanium cyanide @en
cas number: 71887-25-7
cas number: 10442-39-4
pubchem: 165872
notation: T4C4yNH4CN
inchi: InChI=1S/C16H36N.CN/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;/q+1;-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004225

natriumjodide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 61456-04-0
cas number: 59216-98-7
cas number: 41927-88-2
cas number: 7681-82-5
notation: NaI
smiles: [Na+].[I-]
iupac name: Sodium Iodide @en
broader: CHEMONTID_0000565
pubchem: 5238
formula: INa
inchi: InChI=1S/HI.Na/h1H;/q;+1/p-1
inchikey: FVAUCKIRQBBSSJ-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen

3-methylcyclohexanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: UJBOOUHRTQVGRU-UHFFFAOYSA-N
broader: CHEMONTID_0003487
iupac name: 3-methylcyclohexan-1-one @en
cas number: 625-96-7
cas number: 591-24-2
cas number: 24965-87-5
smiles: CC1CCCC(=O)C1
is referenced by: LUC IV 007
is referenced by: LUC IV 012
inchi: InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 11567
formula: C7H12O

norethisteron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 6230
inchikey: VIKNJXKGJWUCNN-XGXHKTLJSA-N
smiles: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
inchi: InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
in scheme: Conceptschema Chemische Stoffen
iupac name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one @en
formula: C20H26O2
broader: CHEMONTID_0003570
cas number: 68-22-4
notation: noretsrn

pentabroomtolueen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C7H3Br5
in scheme: Conceptschema Chemische Stoffen
inchikey: OZHJEQVYCBTHJT-UHFFFAOYSA-N
cas number: 26101-97-3
cas number: 87-83-2
pubchem: 6906
broader: CHEMONTID_0001098
iupac name: 1,2,3,4,5-pentabromo-6-methylbenzene @en
smiles: CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
inchi: InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

2,2',3,4',5'-pentachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 38881
formula: C12H5Cl5
iupac name: 1,2,4-trichloro-5-(2,3-dichlorophenyl)benzene @en
inchikey: JTUSORDQZVOEAZ-UHFFFAOYSA-N
cas number: 41464-51-1
notation: PCB97
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H5Cl5/c13-8-3-1-2-6(12(8)17)7-4-10(15)11(16)5-9(7)14/h1-5H
broader: CHEMONTID_0003030

dipropyleenglycolmonomethylether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C7H16O3/c1-6(4-8)10-5-7(2)9-3/h6-8H,4-5H2,1-3H3
cas number: 13588-28-8
cas number: 112388-78-0
cas number: 83730-60-3
cas number: 197632-43-2
cas number: 12002-35-6
cas number: 104512-57-4
cas number: 34590-94-8
notation: 22C1oxC3ox1C
notation: DC3yegcC1yEt
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-(2-methoxypropoxy)propan-1-ol @en
smiles: CC(CO)OCC(C)OC
broader: CHEMONTID_0001167
alternative label: 2-(2-methoxypropoxy)-1-propanol
formula: C7H16O3
inchikey: CUDYYMUUJHLCGZ-UHFFFAOYSA-N
pubchem: 25485

Perfluor-n-tridecaansulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C13HF27O3S/c14-1(15,2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38)3(18,19)5(22,23)7(26,27)9(30,31)11(34,35)13(39,40)44(41,42)43/h(H,41,42,43)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptacosafluorotridecane-1-sulfonic acid @en
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
inchikey: JMIXTHMPTMXARZ-UHFFFAOYSA-N
notation: PFTrDS
pubchem: 21964789
cas number: 791563-89-8
formula: C13HF27O3S

2-trifluoromethylbenzamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 360-64-5
smiles: C1=CC=C(C(=C1)C(=O)N)C(F)(F)F
broader: CHEMONTID_0004551
pubchem: 67759
inchikey: QBAYIBZITZBSFO-UHFFFAOYSA-N
notation: 2TFC1yBenAd
inchi: InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
iupac name: 2-(Trifluoromethyl)benzamide @en
formula: C8H6F3NO

chroom
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000426
is referenced by: LUC I 002
is referenced by: LUC III 010
cas number: 7440-47-3
cas number: 19498-56-7
cas number: 195161-82-1
cas number: 188785-87-7
notation: Cr
comment: VLAR II D5 'chroom en zijn verbindingen uitgedrukt in Cr' en 'chroom en chroomverbindingen, uitgedrukt als chroom (Cr)'
comment: VLAR II bijl. 4.4.2 'chroom en zijn verbindingen, uitgedrukt in Cr'
comment: VLAR III (D3, diverse art) 'Cr'
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Cr
formula: Cr
pubchem: 23976
smiles: [Cr]
alternative label: chroom (Cr)
inchikey: VYZAMTAEIAYCRO-UHFFFAOYSA-N
iupac name: Chromium @en
definition: chroom en chroomverbindingen, uitgedrukt als chroom (Cr)

1,2,2-trichloorpropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: DAIIXVPKQATIMF-UHFFFAOYSA-N
iupac name: 1,2,2-TRICHLOROPROPANE @en
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
formula: C3H5Cl3
pubchem: 18505
notation: 122TClC3a
inchi: InChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3
smiles: CC(CCl)(Cl)Cl
cas number: 3175-23-3

enrofloxacine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 71188
inchikey: SPFYMRJSYKOXGV-UHFFFAOYSA-N
broader: CHEMONTID_0002552
inchi: InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
in scheme: Conceptschema Chemische Stoffen
formula: C19H22FN3O3
notation: enrfxcne
cas number: 93106-60-6
iupac name: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid @en

dichloor
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: KZBUYRJDOAKODT-UHFFFAOYSA-N
smiles: ClCl
pubchem: 24526
alternative label: chloor
is referenced by: LUC III 002
comment: VLAR III (D3) 'chloorgas, uitgedrukt als Cl2'
comment: VLAR II (D5)
comment: VLAR III (D3) 'chloorgas'
comment: VLAR II bijl. 4.4.2 'chloorgas'
comment: VLAR III (D3) 'chloor, uitgedrukt als Cl2'
comment: VLAR II bijl. 2.5.1
notation: Cl2
formula: Cl2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000432
cas number: 7782-50-5
iupac name: Molecular chlorine @en
inchi: InChI=1S/Cl2/c1-2

pindolol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 13523-86-9
cas number: 21870-06-4
iupac name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol @en
broader: CHEMONTID_0002497
smiles: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O
formula: C14H20N2O2
pubchem: 4828
notation: pindll
inchikey: JZQKKSLKJUAGIC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3

dodecyldimethylbenzylammoniumbromide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
broader: CHEMONTID_0003976
notation: DDBAB
iupac name: benzyl-dodecyl-dimethylazanium bromide @en
formula: C21H38BrN
cas number: 7281-04-1
smiles: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
pubchem: 23705
in scheme: Conceptschema Chemische Stoffen
inchikey: KHSLHYAUZSPBIU-UHFFFAOYSA-M

hexadecyltrimethylammoniumchloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 139272-33-6
cas number: 79728-63-5
cas number: 68002-63-1
cas number: 112-02-7
cas number: 53023-95-3
cas number: 146909-27-5
inchi: InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
pubchem: 8154
formula: C19H42ClN
broader: CHEMONTID_0004225
notation: C16ylTC1ylNH
inchikey: WOWHHFRSBJGXCM-UHFFFAOYSA-M
iupac name: hexadecyl-trimethylazanium chloride @en

pyridafol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl
formula: C10H7ClN2O
inchikey: ZUSHSDOEVHPTCU-UHFFFAOYSA-N
notation: pyrdfl
pubchem: 92316
cas number: 40020-01-7
iupac name: 6-chloro-3-phenyl-1H-pyridazin-4-one @en
broader: CHEMONTID_0004147
inchi: InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)

procymidon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3
inchikey: QXJKBPAVAHBARF-UHFFFAOYSA-N
notation: procmdn
cas number: 68444-90-6
cas number: 60120-20-9
cas number: 32809-16-8
pubchem: 36242
in scheme: Conceptschema Chemische Stoffen
formula: C13H11Cl2NO2
broader: CHEMONTID_0000303
iupac name: 3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione @en

atorvastatine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0002695
in scheme: Conceptschema Chemische Stoffen
iupac name: (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid @en
formula: C33H35FN2O5
cas number: 134523-00-5
inchi: InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
inchikey: XUKUURHRXDUEBC-KAYWLYCHSA-N
pubchem: 60823
notation: atvttne

natriumhypochloriet
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7681-52-9
cas number: 227453-69-2
cas number: 8007-59-8
cas number: 56172-57-7
formula: ClNaO
smiles: [O-]Cl.[Na+]
iupac name: SODIUM HYPOCHLORITE @en
inchikey: SUKJFIGYRHOWBL-UHFFFAOYSA-N
inchi: InChI=1S/ClO.Na/c1-2;/q-1;+1
broader: CHEMONTID_0000640
notation: NaOCl
pubchem: 24340
in scheme: Conceptschema Chemische Stoffen

cumeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 68333-89-1
cas number: 144637-93-4
cas number: 172867-64-0
cas number: 56748-62-0
cas number: 63849-49-0
cas number: 98444-30-5
cas number: 68411-37-0
cas number: 9044-64-8
cas number: 40494-15-3
cas number: 58033-91-3
cas number: 86090-91-7
cas number: 9055-91-8
cas number: 172641-48-4
cas number: 60120-16-3
cas number: 55465-00-4
cas number: 60880-98-0
cas number: 53112-49-5
cas number: 39470-87-6
cas number: 52932-49-7
cas number: 57657-06-4
cas number: 61584-90-5
cas number: 61584-89-2
cas number: 12627-11-1
cas number: 51609-83-7
cas number: 120037-99-2
cas number: 98-82-8
cas number: 51609-87-1
cas number: 11120-46-0
cas number: 105270-05-1
cas number: 56451-72-0
cas number: 117079-77-3
cas number: 53986-84-8
cas number: 55128-06-8
cas number: 68553-94-6
cas number: 60328-46-3
cas number: 54596-41-7
cas number: 81834-12-0
inchikey: RWGFKTVRMDUZSP-UHFFFAOYSA-N
notation: cumn
is referenced by: LUC IV 001
is referenced by: LUC IV 000
is referenced by: LUC IV 011
in scheme: Conceptschema Chemische Stoffen
alternative label: isopropylbenzeen
alternative label: isopropylbenzeen (cumeen)
smiles: CC(C)C1=CC=CC=C1
iupac name: cumene @en
comment: VLAR II bijl. 4.4.2
inchi: InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
broader: CHEMONTID_0000355
pubchem: 7406
formula: C9H12

malononitril
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 109-77-3
cas number: 144804-99-9
inchikey: CUONGYYJJVDODC-UHFFFAOYSA-N
smiles: C(C#N)C#N
formula: C3H2N2
notation: malnntl
inchi: InChI=1S/C3H2N2/c4-2-1-3-5/h1H2
iupac name: Propanedinitrile @en
pubchem: 8010
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen

lactose
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13360-52-6
cas number: 63-42-3
cas number: 69-79-4
cas number: 16462-44-5
cas number: 528-50-7
inchikey: GUBGYTABKSRVRQ-UHFFFAOYSA-N
broader: CHEMONTID_0002207
iupac name: 2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol @en
inchi: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2
formula: C12H22O11
notation: lactse
in scheme: Conceptschema Chemische Stoffen
pubchem: 294

2-methyl-4-chloorfenoxyboterzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
alternative label: 4-(4-chloor-2-methylfenoxy)boterzuur
alternative label: 4-(4-chloro-2-methylfenoxy)boterzuur (mcpb)
notation: MCPB
inchikey: LLWADFLAOKUBDR-UHFFFAOYSA-N
broader: CHEMONTID_0002341
formula: C11H13ClO3
inchi: InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
smiles: CC1=C(C=CC(=C1)Cl)OCCCC(=O)O
cas number: 94-81-5
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-(4-Chloro-2-methylphenoxy)butanoic acid @en
pubchem: 7207

decylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C16H26O
inchi: InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14,17H,2-9,12H2,1H3
pubchem: 3032831
broader: CHEMONTID_0004647
iupac name: 2-decylphenol @en
smiles: CCCCCCCCCCC1=CC=CC=C1O
inchikey: FDIPWBUDOCPIMH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 27157-66-0

gemfibrozil
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O
inchikey: HEMJJKBWTPKOJG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 25812-30-0
pubchem: 3463
iupac name: 5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid @en
formula: C15H22O3
broader: CHEMONTID_0002341
notation: gemfbzl
inchi: InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)

gadodiamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002309
formula: C16H26GdN5O8
cas number: 131410-48-5
inchi: InChI=1S/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3
iupac name: 2-[bis[2-[(2-methylamino-2-oxoethyl)-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation @en
pubchem: 153921
smiles: CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
in scheme: Conceptschema Chemische Stoffen
inchikey: HZHFFEYYPYZMNU-UHFFFAOYSA-K
notation: gaddamde

octadecanal
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000298
iupac name: Octadecanal @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
pubchem: 12533
smiles: CCCCCCCCCCCCCCCCCC=O
formula: C18H36O
notation: C18al
cas number: 638-66-4
inchikey: FWWQKRXKHIRPJY-UHFFFAOYSA-N

5-isopropyl-2-methylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000051
cas number: 499-75-2
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-methyl-5-propan-2-ylphenol @en
smiles: CC1=C(C=C(C=C1)C(C)C)O
inchi: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
pubchem: 10364
formula: C10H14O
notation: 5iC3y2C1yFol
inchikey: RECUKUPTGUEGMW-UHFFFAOYSA-N

fluazifop-butyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: VAIZTNZGPYBOGF-UHFFFAOYSA-N
cas number: 69806-50-4
cas number: 86334-14-7
inchi: InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004677
iupac name: butyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
formula: C19H20F3NO4
notation: fluazfC4y
pubchem: 50897

di-isopentylftalaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C18H26O4
inchi: InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C
inchikey: JANBFCARANRIKJ-UHFFFAOYSA-N
cas number: 605-50-5
broader: CHEMONTID_0001350
pubchem: 69059
iupac name: bis(3-methylbutyl) benzene-1,2-dicarboxylate @en

6:2 fluortelomeerfosfaat diester
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 14550408
formula: C16H9F26O4P
notation: 6:2 diPAP
broader: CHEMONTID_0003459
in scheme: Conceptschema Chemische Stoffen
cas number: 57677-95-9
inchikey: ZDYYWMSLMLTXDM-UHFFFAOYSA-N
inchi: InChI=1S/C16H9F26O4P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-45-47(43,44)46-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2,(H,43,44)
iupac name: bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen phosphate @en

sulfentrazon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 111991-58-3
cas number: 122836-35-5
formula: C11H10Cl2F2N4O3S
in scheme: Conceptschema Chemische Stoffen
notation: sulfntzn
pubchem: 86369
iupac name: N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide @en
inchikey: OORLZFUTLGXMEF-UHFFFAOYSA-N
broader: CHEMONTID_0003314

desethylterbutylazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 30125-63-4
inchikey: LMKQNTMFZLAJDV-UHFFFAOYSA-N
inchi: InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)
smiles: CC(C)(C)NC1=NC(=NC(=N1)N)Cl
notation: desC2ytC4yaz
formula: C7H12ClN5
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001693
pubchem: 108201
iupac name: N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine @en

benzoxoniumchloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: UUSQFLGKGQEVCM-UHFFFAOYSA-M
smiles: CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.[Cl-]
broader: CHEMONTID_0000185
formula: C23H42ClNO2
pubchem: 29563
inchi: InChI=1S/C23H42NO2.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23;/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3;1H/q+1;/p-1
in scheme: Conceptschema Chemische Stoffen
notation: benzxnuCl
iupac name: benzyl-dodecyl-bis(2-hydroxyethyl)azanium chloride @en
cas number: 19379-90-9

perfluoroctaanzuur, natriumzout
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003962
pubchem: 67637
formula: C8F15NaO2
iupac name: sodium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate @en
inchikey: LWHQXUODFPPQTL-UHFFFAOYSA-M
notation: PFOA_Na
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1
cas number: 335-95-5

1,4-dihydroxybenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000136
inchi: InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
cas number: 123-31-9
cas number: 57534-13-1
cas number: 8027-02-9
notation: 14DHOxBen
inchikey: QIGBRXMKCJKVMJ-UHFFFAOYSA-N
iupac name: Benzene-1,4-diol @en
smiles: C1=CC(=CC=C1O)O
in scheme: Conceptschema Chemische Stoffen
formula: C6H6O2
pubchem: 785

naftaleen-1,3,6-trisulfonaat,natriumzout
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C10H8O9S3.Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);/q;+1/p-1
notation: Naf136TsfntN
broader: CHEMONTID_0003601
inchikey: BERQWQSQOIEUMA-UHFFFAOYSA-M
iupac name: sodium 3,6-disulfonaphthalene-1-sulfonate @en
pubchem: 88066
formula: C10H7NaO9S3
in scheme: Conceptschema Chemische Stoffen
cas number: 19437-42-4

1,1-dichloor-1,2,3,3,3-pentafluorpropaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C(C(F)(F)F)(C(F)(Cl)Cl)F
formula: C3HCl2F5
pubchem: 62310
notation: HCFK225eb
iupac name: 1,1-DICHLORO-1,2,3,3,3-PENTAFLUOROPROPANE @en
in scheme: Conceptschema Chemische Stoffen
inchikey: YERASKROMPMIBM-UHFFFAOYSA-N
inchi: InChI=1S/C3HCl2F5/c4-2(5,7)1(6)3(8,9)10/h1H
broader: CHEMONTID_0001517
cas number: 111512-56-2

thiometon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: OPASCBHCTNRLRM-UHFFFAOYSA-N
iupac name: 2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidenephosphorane @en
cas number: 640-15-3
formula: C6H15O2PS3
pubchem: 12541
notation: tomtn
inchi: InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3
broader: CHEMONTID_0004164
smiles: CCSCCSP(=S)(OC)OC
in scheme: Conceptschema Chemische Stoffen

chloralose
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C8H11Cl3O6
smiles: C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O
in scheme: Conceptschema Chemische Stoffen
pubchem: 27525
notation: chlorlse
cas number: 15879-93-3
inchikey: OJYGBLRPYBAHRT-OPKHMCHVSA-N
iupac name: 1-[(2R,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]ethane-1,2-diol @en
inchi: InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2?,3-,4+,5+,6?,7+/m0/s1
broader: CHEMONTID_0001540

natrium 22
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: sodium-22 @en
in scheme: Conceptschema Chemische Stoffen
smiles: [Na]
pubchem: 6328543
broader: CHEMONTID_0000425
inchikey: KEAYESYHFKHZAL-BJUDXGSMSA-N
inchi: InChI=1S/Na/i1-1
formula: Na
cas number: 13966-32-0
notation: Na22

haloxyfop
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: sodium 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
inchikey: DUZVBQWEFKXWJM-UHFFFAOYSA-M
cas number: 69806-34-4
cas number: 69806-86-6
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004674
pubchem: 3053343
notation: halOxfp
formula: C15H10ClF3NNaO4

1-propylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 103-65-1
cas number: 74296-31-4
inchi: InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
in scheme: Conceptschema Chemische Stoffen
iupac name: Propylbenzene @en
notation: 1C3yBen
smiles: CCCC1=CC=CC=C1
formula: C9H12
pubchem: 7668
inchikey: ODLMAHJVESYWTB-UHFFFAOYSA-N
broader: CHEMONTID_0002811
alternative label: n-propylbenzeen
alternative label: propylbenzeen

2,4,6-trichloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C12H7Cl3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H
broader: CHEMONTID_0003030
smiles: C1=CC=C(C=C1)C2=C(C=C(C=C2Cl)Cl)Cl
inchikey: MTLMVEWEYZFYTH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,3,5-trichloro-2-phenylbenzene @en
formula: C12H7Cl3
pubchem: 37247
cas number: 35693-92-6
notation: PCB30

3,4-dichlooraniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 7257
broader: CHEMONTID_0002564
cas number: 95-76-1
inchi: InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
inchikey: SDYWXFYBZPNOFX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,4-Dichloroaniline @en
smiles: C1=CC(=C(C=C1N)Cl)Cl
formula: C6H5Cl2N
notation: 34DClAn

trichloorazijnzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
notation: TClHAc
smiles: C(=O)(C(Cl)(Cl)Cl)O
cas number: 76-03-9
in scheme: Conceptschema Chemische Stoffen
pubchem: 6421
iupac name: 2,2,2-trichloroacetic acid @en
inchikey: YNJBWRMUSHSURL-UHFFFAOYSA-N
formula: C2HCl3O2
broader: CHEMONTID_0003000

2,3-dimethylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2,3-Dimethylphenol @en
pubchem: 10687
smiles: CC1=C(C(=CC=C1)O)C
broader: CHEMONTID_0001274
inchi: InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3
cas number: 526-75-0
formula: C8H10O
inchikey: QWBBPBRQALCEIZ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: 23DC1yFol

p-chloorfenylisocyanaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 7693
broader: CHEMONTID_0001099
iupac name: 1-Chloro-4-isocyanatobenzene @en
formula: C7H4ClNO
inchikey: ADAKRBAJFHTIEW-UHFFFAOYSA-N
smiles: C1=CC(=CC=C1N=C=O)Cl
inchi: InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
in scheme: Conceptschema Chemische Stoffen
notation: pClFyiCN
cas number: 104-12-1

dimethylnitrosamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0004777
pubchem: 6124
inchikey: UMFJAHHVKNCGLG-UHFFFAOYSA-N
inchi: InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3
cas number: 62-75-9
notation: DC1yNOAe
in scheme: Conceptschema Chemische Stoffen
formula: C2H6N2O
iupac name: N,N-dimethylnitrous amide @en
smiles: CN(C)N=O

mustine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CN(CCCl)CCCl
inchi: InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3
broader: CHEMONTID_0000398
in scheme: Conceptschema Chemische Stoffen
formula: C5H11Cl2N
cas number: 51-75-2
iupac name: 2-Chloro-N-(2-chloroethyl)-N-methylethanamine @en
notation: mustne
inchikey: HAWPXGHAZFHHAD-UHFFFAOYSA-N
pubchem: 4033

oxychloordaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: VWGNQYSIWFHEQU-UHFFFAOYSA-N
iupac name: 1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene @en
cas number: 26880-48-8
cas number: 27304-13-8
in scheme: Conceptschema Chemische Stoffen
formula: C10H4Cl8O
broader: CHEMONTID_0002012
pubchem: 33772
notation: OxCldn
inchi: InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H
alternative label: oxychlordaan

2,4-dibroomanisol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 27011
smiles: COC1=C(C=C(C=C1)Br)Br
cas number: 21702-84-1
iupac name: 2,4-dibromo-1-methoxybenzene @en
inchikey: XGXUGXPKRBQINS-UHFFFAOYSA-N
formula: C7H6Br2O
notation: 24DBransl
broader: CHEMONTID_0000138
inchi: InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
in scheme: Conceptschema Chemische Stoffen

2,2-dimethoxypropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC(C)(OC)OC
inchikey: HEWZVZIVELJPQZ-UHFFFAOYSA-N
notation: 22DC1oxC3a
broader: CHEMONTID_0004472
iupac name: 2,2-Dimethoxypropane @en
pubchem: 6495
cas number: 77-76-9
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3
formula: C5H12O2

tricresylfosfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: BOSMZFBHAYFUBJ-UHFFFAOYSA-N
inchi: InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3
cas number: 1330-78-5
cas number: 78-32-0
alternative label: tri-p-cresylfosfaat
notation: TcsPO4
notation: TpcsPO4
broader: CHEMONTID_0004619
formula: C21H21O4P
iupac name: tris(4-methylphenyl) phosphate @en
pubchem: 6529

didecylftalaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 84-77-5
iupac name: didecyl benzene-1,2-dicarboxylate @en
broader: CHEMONTID_0001350
inchi: InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
notation: DC10yFt
formula: C28H46O4
pubchem: 6788
in scheme: Conceptschema Chemische Stoffen
inchikey: PGIBJVOPLXHHGS-UHFFFAOYSA-N

benzthiazuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CNC(=O)NC1=NC2=CC=CC=C2S1
inchikey: DTCJYIIKPVRVDD-UHFFFAOYSA-N
pubchem: 16007
inchi: InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)
cas number: 1929-88-0
broader: CHEMONTID_0000311
iupac name: 1-(1,3-Benzothiazol-2-yl)-3-methylurea @en
notation: benztazrn
formula: C9H9N3OS

ijzeroxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: FeO
in scheme: Conceptschema Chemische Stoffen
iupac name: oxoiron @en
notation: FeO
inchikey: UQSXHKLRYXJYBZ-UHFFFAOYSA-N
broader: CHEMONTID_0000538
cas number: 1345-25-1
inchi: InChI=1S/Fe.O
pubchem: 14945
smiles: O=[Fe]

som tertiair-octylfenol-isomeren
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 30105-54-5
cas number: 209859-96-1
cas number: 3884-95-5
cas number: 62744-41-6
cas number: 27193-28-8
cas number: 29932-96-5
cas number: 1322-69-6
formula: C14H22O
notation: sttC8yFol
smiles: CC(C)(C)CC(C)(C)C1=CC=CC=C1O
pubchem: 62530
inchikey: XSXWOBXNYNULJG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002811
iupac name: 2-(2,4,4-trimethylpentan-2-yl)phenol @en
inchi: InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)15/h6-9,15H,10H2,1-5H3

flubenzimine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: IZFZCMFMJKDHJZ-UHFFFAOYSA-N
iupac name: N2,3-di(phenyl)-N4,N5-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine @en
cas number: 37893-02-0
formula: C17H10F6N4S
notation: flubzmne
inchi: InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002279
pubchem: 91625

2,3,4,4',5-pentachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 74472-37-0
broader: CHEMONTID_0003030
is referenced by: LUC VI 002
alternative label: 2,3,4,4',5-pentachloorbifenyl (pcb114)
alternative label: pcb 114
alternative label: PCB 114
in scheme: Conceptschema Chemische Stoffen
inchikey: SXZSFWHOSHAKMN-UHFFFAOYSA-N
pubchem: 53036
iupac name: 1,2,3,4-tetrachloro-5-(4-chlorophenyl)benzene @en
notation: PCB114
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H

di-ethylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 70131-58-7
cas number: 69013-19-0
cas number: 69227-20-9
cas number: 74446-43-8
cas number: 7578-39-4
cas number: 71011-10-4
cas number: 68991-48-0
cas number: 60-29-7
in scheme: Conceptschema Chemische Stoffen
smiles: CCOCC
broader: CHEMONTID_0001167
iupac name: Ethoxyethane @en
comment: VLAR II bijl. 4.4.2
is referenced by: LUC IV 008
is referenced by: LUC IV 011
is referenced by: LUC IV 000
notation: DC2yEtr
formula: C4H10O
pubchem: 3283
inchikey: RTZKZFJDLAIYFH-UHFFFAOYSA-N
alternative label: diethylether
inchi: InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3

niobium 94
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: [Nb]
notation: Nb94
broader: CHEMONTID_0000426
pubchem: 115134
inchikey: GUCVJGMIXFAOAE-OUBTZVSYSA-N
inchi: InChI=1S/Nb/i1+1
iupac name: niobium-94 @en
in scheme: Conceptschema Chemische Stoffen
cas number: 14681-63-1
formula: Nb

telodrin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H
pubchem: 9271
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,3,5,7,8,9,10,10-octachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene @en
formula: C9H4Cl8O
broader: CHEMONTID_0002648
cas number: 297-78-9
inchikey: LRWHHSXTGZSMSN-UHFFFAOYSA-N
notation: teldn

gamma-ergostenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001403
pubchem: 86509
inchi: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3
notation: gergsnl
cas number: 516-78-9
cas number: 17105-75-8
in scheme: Conceptschema Chemische Stoffen
formula: C28H48O
iupac name: 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol @en
inchikey: PUGBZUWUTZUUCP-UHFFFAOYSA-N

hexamethyleendiisocyanaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 66368-96-5
cas number: 63525-90-6
cas number: 243121-01-9
cas number: 57350-77-3
cas number: 88357-62-4
cas number: 822-06-0
cas number: 133394-59-9
cas number: 280144-19-6
cas number: 53192-27-1
broader: CHEMONTID_0000501
iupac name: 1,6-Diisocyanatohexane @en
pubchem: 13192
inchi: InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
notation: HxC1yeDiCN
inchikey: RRAMGCGOFNQTLD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: C(CCCN=C=O)CCN=C=O
formula: C8H12N2O2

ytterbium 175
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: NAWDYIZEMPQZHO-NJFSPNSNSA-N
smiles: [Yb]
in scheme: Conceptschema Chemische Stoffen
notation: Yb175
pubchem: 161018
inchi: InChI=1S/Yb/i1+2
cas number: 14041-44-2
formula: Yb
iupac name: ytterbium-175 @en
broader: CHEMONTID_0000429

1-(4-isopropylfenyl)-3-methylureum
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C11H16N2O
notation: 14iC3yFy3C1y
broader: CHEMONTID_0001935
pubchem: 182167
iupac name: 3-methyl-1-(4-propan-2-ylphenyl)urea @en
smiles: CC(C)C1=CC=C(C=C1)NC(=O)NC
in scheme: Conceptschema Chemische Stoffen
inchikey: DOULWWSSZVEPIN-UHFFFAOYSA-N
cas number: 34123-57-4
inchi: InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)

1-(3,4-dichloorfenyl)-3-methylureum
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 19113
iupac name: 1-(3,4-Dichlorophenyl)-3-methylurea @en
inchikey: IDQHRQQSSQDLTR-UHFFFAOYSA-N
inchi: InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)
cas number: 3567-62-2
formula: C8H8Cl2N2O
notation: 134DClFy3C1y
smiles: CNC(=O)NC1=CC(=C(C=C1)Cl)Cl
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen

tributyltinacetaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: 0
notation: TC4ySnactt
inchikey: NCMLSPGQECDTSJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: Tributylstannyl acetate @en
cas number: 56-36-0
inchi: InChI=1S/3C4H9.C2H3O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3;
formula: 0

malachietgroen-oxalaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2437-29-8
notation: malcgoxlt
pubchem: 2724411
iupac name: [4-[(4-dimethylaminophenyl)-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylazanium; 2-hydroxy-2-oxoacetate; oxalic acid @en
inchikey: CNYGFPPAGUCRIC-UHFFFAOYSA-L
formula: C52H54N4O12
smiles: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/2C23H25N2.3C2H2O4/c2*1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;3*3-1(4)2(5)6/h2*5-17H,1-4H3;3*(H,3,4)(H,5,6)/q2*+1;;;/p-2

acetylsulfamethoxazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 65280
cas number: 21312-10-7
inchikey: GXPIUNZCALHVBA-UHFFFAOYSA-N
broader: CHEMONTID_0000031
iupac name: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide @en
inchi: InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
formula: C12H13N3O4S
notation: actsfmtozl
in scheme: Conceptschema Chemische Stoffen

primidon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: DQMZLTXERSFNPB-UHFFFAOYSA-N
formula: C12H14N2O2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
notation: primdn
broader: CHEMONTID_0002202
iupac name: 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione @en
cas number: 125-33-7
pubchem: 4909
smiles: CCC1(C(=O)NCNC1=O)C2=CC=CC=C2

oryzalin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]
notation: orzln
broader: CHEMONTID_0003968
cas number: 19044-88-3
inchi: InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)
pubchem: 29393
iupac name: 4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide @en
in scheme: Conceptschema Chemische Stoffen
formula: C12H18N4O6S
inchikey: UNAHYJYOSSSJHH-UHFFFAOYSA-N

N,N-dimethyl-1-dodecaanamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C14H31N
in scheme: Conceptschema Chemische Stoffen
inchikey: YWFWDNVOPHGWMX-UHFFFAOYSA-N
inchi: InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3
cas number: 83855-86-1
cas number: 52622-54-5
cas number: 68391-04-8
cas number: 112-18-5
cas number: 68390-97-6
iupac name: N,N-dimethyldodecan-1-amine @en
notation: NNDC1y1C12aA
smiles: CCCCCCCCCCCCN(C)C
broader: CHEMONTID_0002239
alternative label: n,n-dimethyl-1-dodecaanamine
pubchem: 8168

1,2,3,4,5,7,7-heptachloor-bicyclo(2.2.1)-2-hepteen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 1234577HpClb
smiles: C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl
cas number: 5202-36-8
cas number: 2440-02-0
broader: CHEMONTID_0002863
iupac name: 1,2,3,4,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h2H,1H2
inchikey: FCMVPUGRXPEIQX-UHFFFAOYSA-N
pubchem: 98482
formula: C7H3Cl7

2-methylpentaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: 2C1yC5a
smiles: CCCC(C)C
broader: CHEMONTID_0004620
inchikey: AFABGHUZZDYHJO-UHFFFAOYSA-N
cas number: 73513-42-5
cas number: 107-83-5
iupac name: 2-Methylpentane @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
pubchem: 7892
formula: C6H14

arsenocholine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004280
iupac name: 2-hydroxyethyl-trimethylarsanium @en
formula: C5H14AsO+
inchikey: ORLOBEXOFQEWFQ-UHFFFAOYSA-N
inchi: InChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
pubchem: 104820
cas number: 39895-81-3
smiles: C[As+](C)(C)CCO

2,4,4-trimethyl-2-penteen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 7869
iupac name: 2,4,4-Trimethylpent-2-ene @en
smiles: CC(=CC(C)(C)C)C
in scheme: Conceptschema Chemische Stoffen
formula: C8H16
inchikey: LAAVYEUJEMRIGF-UHFFFAOYSA-N
broader: CHEMONTID_0004622
inchi: InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3
cas number: 107-40-4
notation: 244TC1y2C5e

methanolacrylamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: C1olacAd
broader: CHEMONTID_0004450
pubchem: 13543
cas number: 90456-67-0
cas number: 194091-52-6
cas number: 924-42-5
cas number: 176598-18-8
cas number: 160278-55-7
smiles: C=CC(=O)NCO
formula: C4H7NO2
iupac name: N-(hydroxymethyl)prop-2-enamide @en
inchikey: CNCOEDDPFOAUMB-UHFFFAOYSA-N
inchi: InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)

3,4,5-trimethylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 10696
notation: 345TC1yFol
in scheme: Conceptschema Chemische Stoffen
cas number: 527-54-8
inchikey: FDQQNNZKEJIHMS-UHFFFAOYSA-N
broader: CHEMONTID_0001275
smiles: CC1=CC(=CC(=C1C)C)O
formula: C9H12O
inchi: InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
iupac name: 3,4,5-Trimethylphenol @en

perfluor-n-heptaanzuur (pfhpa)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: PFHpA
pubchem: 80210
alternative label: perfluor-n-heptaanzuur
alternative label: perfluorheptaanzuur
alternative label: perfluorheptaanzuur (pfhpa)
inchi: InChI=1S/C7HF13O2.H3N/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20;/h(H,21,22);1H3
cas number: 80856-39-9
cas number: 375-85-9
cas number: 6130-43-4
iupac name: azane; 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid @en
broader: CHEMONTID_0003962
inchikey: JVZREVRTMWNFME-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C7H4F13NO2

iso-propylglycidylether
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 19920
inchi: InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3
smiles: CC(C)OCC1CO1
inchikey: NWLUZGJDEZBBRH-UHFFFAOYSA-N
notation: iC3yDgcdE
formula: C6H12O2
cas number: 126753-03-5
cas number: 4016-14-2
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-(propan-2-yloxymethyl)oxirane @en
broader: CHEMONTID_0000159

1-hexadecanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: BXWNKGSJHAJOGX-UHFFFAOYSA-N
cas number: 55069-45-9
cas number: 36653-82-4
cas number: 8014-51-5
cas number: 8032-89-1
cas number: 124-29-8
cas number: 8023-37-8
cas number: 8032-16-4
cas number: 36311-34-9
cas number: 8032-17-5
smiles: CCCCCCCCCCCCCCCCO
inchi: InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
notation: 1C16ol
formula: C16H34O
broader: CHEMONTID_0002951
pubchem: 2682
iupac name: Hexadecan-1-ol @en

3,3'-dimethoxybenzidine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
cas number: 119-90-4
cas number: 59777-10-5
inchikey: JRBJSXQPQWSCCF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline @en
formula: C14H16N2O2
broader: CHEMONTID_0003956
notation: 33DC1oxbzdne
inchi: InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3
pubchem: 8411

1-hexadecylpyridinium chloride monohydraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 1C16yprdnClH
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]
pubchem: 22324
broader: CHEMONTID_0001764
cas number: 6004-24-6
inchikey: NFCRBQADEGXVDL-UHFFFAOYSA-M
iupac name: 1-hexadecylpyridin-1-ium chloride hydrate @en
formula: C21H40ClNO

benzyladenine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C12H11N5
broader: CHEMONTID_0003454
inchikey: NWBJYWHLCVSVIJ-UHFFFAOYSA-N
cas number: 3458-19-3
cas number: 1214-39-7
cas number: 124786-41-0
inchi: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
notation: benzadnne
pubchem: 62389
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
iupac name: N-(phenylmethyl)-7H-purin-6-amine @en

dikegulac
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 28300-95-0
cas number: 49813-52-7
cas number: 136881-53-3
cas number: 131400-21-0
cas number: 64040-42-2
cas number: 59795-40-3
cas number: 129607-69-8
cas number: 3768-13-6
cas number: 27708-72-1
cas number: 36058-05-6
cas number: 26996-98-5
cas number: 18467-77-1
cas number: 72349-14-5
notation: Dikglc
inchi: InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004472
inchikey: FWCBATIDXGJRMF-UHFFFAOYSA-N
formula: C12H18O7
iupac name: 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid @en
pubchem: 72085

4-pentylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 26975
notation: 4C5yFt
in scheme: Conceptschema Chemische Stoffen
alternative label: 4-n-pentylfenol
broader: CHEMONTID_0004646
formula: C11H16O
iupac name: 4-PENTYLPHENOL @en
inchikey: ZNPSUQQXTRRSBM-UHFFFAOYSA-N
smiles: CCCCCC1=CC=C(C=C1)O
cas number: 65916-15-6
cas number: 14938-35-3
inchi: InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3

perfluor-n-decaansulfonzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
alternative label: perfluordecaansulfonzuur (pfds)
alternative label: perfluor-n-decaansulfonzuur (pfds)
alternative label: perfluor-1-decaansulfonzuur
notation: L_PFDS
notation: PFDS
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003961
pubchem: 67636
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid @en
inchi: InChI=1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)
cas number: 335-77-3
inchikey: HYWZIAVPBSTISZ-UHFFFAOYSA-N
formula: C10HF21O3S

1,3-difenylguanidine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 39291-21-9
cas number: 55556-10-0
cas number: 102-06-7
cas number: 25323-69-7
cas number: 33505-70-3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002279
formula: C13H13N3
smiles: C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N
pubchem: 7594
inchi: InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
inchikey: OWRCNXZUPFZXOS-UHFFFAOYSA-N
iupac name: 1,2-di(phenyl)guanidine @en
notation: 13DFygandne

neodecaanzuur ethenylester
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 162097
formula: C12H22O2
cas number: 51000-52-3
cas number: 17756-73-9
notation: neoC10azetnE
inchikey: TVFJAZCVMOXQRK-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000324
iupac name: ethenyl 7,7-dimethyloctanoate @en
inchi: InChI=1S/C12H22O2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5H,1,6-10H2,2-4H3
smiles: CC(C)(C)CCCCCC(=O)OC=C

heneicosaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CCCCCCCCCCCCCCCCCCCCC(=O)O
formula: C21H42O2
notation: C21azr
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
inchikey: CKDDRHZIAZRDBW-UHFFFAOYSA-N
pubchem: 16898
iupac name: Henicosanoic acid @en
cas number: 2363-71-5

penconazole
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3
cas number: 87501-25-5
cas number: 66246-88-6
alternative label: penconazool
broader: CHEMONTID_0002564
pubchem: 91693
smiles: CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl
inchikey: WKBPZYKAUNRMKP-UHFFFAOYSA-N
formula: C13H15Cl2N3
in scheme: Conceptschema Chemische Stoffen
notation: pencnzl
iupac name: 1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole @en

2,4-bis(1-fenylethyl)fenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2769-94-0
cas number: 25640-70-4
iupac name: 2,4-Bis(1-phenylethyl)phenol @en
pubchem: 102877
formula: C22H22O
in scheme: Conceptschema Chemische Stoffen
notation: 24bis1FyC2yF
inchikey: RCFAHSGZAAFQJH-UHFFFAOYSA-N
inchi: InChI=1S/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3
broader: CHEMONTID_0002651

hexachloorcyclopentadieen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: VUNCWTMEJYMOOR-UHFFFAOYSA-N
broader: CHEMONTID_0002863
alternative label: hexachloorcyclopentadieen (hccpd)
alternative label: hexachloorcyclopentadieen (HCCPD)
notation: HCCPD
inchi: InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8
in scheme: Conceptschema Chemische Stoffen
pubchem: 6478
smiles: C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl
iupac name: 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene @en
cas number: 77-47-4
formula: C5Cl6

bis(butyleen)tetrahydrofuraldehyde
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: bisC4yeT4HfA
cas number: 126-15-8
inchi: InChI=1S/C13H16O2/c14-9-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15-13/h1-4,9-12H,5-8H2
pubchem: 31341
iupac name: 4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde @en
broader: CHEMONTID_0002648
smiles: C1C=CCC2C1C3CC=CCC3(O2)C=O
inchikey: XNYGOEGATLFFOX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C13H16O2

fenkapton
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C11H15Cl2O2PS3
cas number: 2275-14-1
pubchem: 16773
broader: CHEMONTID_0002564
notation: febktn
smiles: CCOP(=S)(OCC)SCSC1=C(C=CC(=C1)Cl)Cl
iupac name: (2,5-dichlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
in scheme: Conceptschema Chemische Stoffen
inchikey: GGNLTHFTYNDYNK-UHFFFAOYSA-N

azoxystrobin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0004203
pubchem: 3034285
cas number: 215934-32-0
cas number: 131860-33-8
formula: C22H17N3O5
inchi: InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
iupac name: methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate @en
notation: azoxsbn
in scheme: Conceptschema Chemische Stoffen
inchikey: WFDXOXNFNRHQEC-GHRIWEEISA-N

antrachinon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: antcnn
smiles: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O
formula: C14H8O2
inchi: InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
broader: CHEMONTID_0000151
cas number: 790240-52-7
cas number: 84-65-1
inchikey: RZVHIXYEVGDQDX-UHFFFAOYSA-N
pubchem: 6780
in scheme: Conceptschema Chemische Stoffen
iupac name: anthracene-9,10-dione @en

5-hydroxythiabendazole
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C10H7N3OS/c14-6-1-2-7-8(3-6)13-10(12-7)9-4-15-5-11-9/h1-5,14H,(H,12,13)
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-ol @en
formula: C10H7N3OS
notation: 5HOxtabdzle
cas number: 948-71-0
smiles: C1=CC2=C(C=C1O)NC(=N2)C3=CSC=N3
broader: CHEMONTID_0000294
pubchem: 108227
inchikey: VNENJHUOPQAPAT-UHFFFAOYSA-N

levetiracetam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: levtrctm
in scheme: Conceptschema Chemische Stoffen
cas number: 102767-28-2
iupac name: (2R)-2-(2-oxopyrrolidin-1-yl)butanamide @en
inchikey: HPHUVLMMVZITSG-ZCFIWIBFSA-N
formula: C8H14N2O2
smiles: CCC(C(=O)N)N1CCCC1=O
inchi: InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1
broader: CHEMONTID_0000060
pubchem: 441341

2-chloor-2-propeen-ol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 2-chloroprop-2-en-1-ol @en
cas number: 5976-47-6
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002608
inchikey: OSCXYTRISGREIM-UHFFFAOYSA-N
pubchem: 80076
formula: C3H5ClO
smiles: C=C(CO)Cl
notation: 2Cl2C3eol
inchi: InChI=1S/C3H5ClO/c1-3(4)2-5/h5H,1-2H2

1-amino-2-methylanthraquinon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 82-28-0
notation: 1Ao2C1yatqnn
pubchem: 6702
formula: C15H11NO2
broader: CHEMONTID_0000151
smiles: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-amino-2-methylanthracene-9,10-dione @en
inchikey: ZLCUIOWQYBYEBG-UHFFFAOYSA-N
inchi: InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3

perfluorhexaansulfonzuur (pfhxs)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
inchikey: QZHDEAJFRJCDMF-UHFFFAOYSA-N
alternative label: perfluor-n-hexaansulfonzuur (pfhxs)
alternative label: perfluor-n-hexaansulfonzuur
alternative label: perfluorhexaansulfonzuur
formula: C6HF13O3S
notation: L_PFHxS
notation: PFHxS
pubchem: 67734
inchi: InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)
cas number: 355-46-4
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid @en

cis-2-butenal
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
cas number: 15798-64-8
cas number: 123-73-9
formula: C4H6O
broader: CHEMONTID_0002436
inchikey: MLUCVPSAIODCQM-NSCUHMNNSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 447466
iupac name: (E)-but-2-enal @en
notation: c2C4eal
notation: crotAh
smiles: CC=CC=O
alternative label: trans-2-butenal

landrin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 12407-86-2
cas number: 2655-15-4
cas number: 58784-13-7
pubchem: 25550
broader: CHEMONTID_0004640
alternative label: 2,3,5-trimethacarb
notation: 235Tmtcb
notation: landn
inchi: InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)
iupac name: (2,3,5-trimethylphenyl) N-methylcarbamate @en
formula: C11H15NO2
in scheme: Conceptschema Chemische Stoffen
inchikey: NYOKZHDTNBDPOB-UHFFFAOYSA-N
smiles: CC1=CC(=C(C(=C1)OC(=O)NC)C)C

boortrichloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: FAQYAMRNWDIXMY-UHFFFAOYSA-N
cas number: 31012-04-1
cas number: 10294-34-5
cas number: 37226-51-0
in scheme: Conceptschema Chemische Stoffen
notation: BTCl
formula: BCl3
smiles: B(Cl)(Cl)Cl
iupac name: Trichloroborane @en
broader: CHEMONTID_0000583
pubchem: 25135
inchi: InChI=1S/BCl3/c2-1(3)4

cymoxanil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C7H10N4O3
cas number: 93195-85-8
cas number: 57966-95-7
broader: CHEMONTID_0001010
inchi: InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+
inchikey: XERJKGMBORTKEO-VZUCSPMQSA-N
smiles: CCNC(=O)NC(=O)C(=NOC)C#N
pubchem: 5364079
notation: cymOanl
iupac name: 2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide @en

bromocyclen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: Brccn
broader: CHEMONTID_0002863
smiles: C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CBr
cas number: 1715-40-8
inchi: InChI=1S/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2
pubchem: 15583
iupac name: 6-(bromomethyl)-1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene @en
in scheme: Conceptschema Chemische Stoffen
formula: C8H5BrCl6
inchikey: DAASOABUJRMZAD-UHFFFAOYSA-N

cyanide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
is referenced by: CMA 2 I C.2.3
is referenced by: WAC III C 030
is referenced by: WAC III D 036
is referenced by: CMA 2 I C.2.1
is referenced by: CMA 2 I C.2.2
inchi: InChI=1S/CN/c1-2/q-1
inchikey: XFXPMWWXUTWYJX-UHFFFAOYSA-N
formula: CN-
pubchem: 5975
iupac name: Cyanide @en
broader: CHEMONTID_0000553
notation: CN
cas number: 57-12-5
cas number: 373-51-3
in scheme: Conceptschema Chemische Stoffen
smiles: [C-]#N

flucythrinaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: GBIHOLCMZGAKNG-UHFFFAOYSA-N
formula: C26H23F2NO4
inchi: InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3
smiles: CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
in scheme: Conceptschema Chemische Stoffen
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate @en
pubchem: 50980
cas number: 70124-77-5
cas number: 71611-31-9
notation: fluctnt
broader: CHEMONTID_0001461

zinkchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 53917-99-0
cas number: 7646-85-7
smiles: Cl[Zn]Cl
inchi: InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2
iupac name: ['Zinc dichloride', 'dichlorozinc'] @en
formula: Cl2Zn
notation: ZnCl
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000588
pubchem: 5727
inchikey: JIAARYAFYJHUJI-UHFFFAOYSA-L

melamine, polymeer met formaldehyde en methanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 59588-07-7
cas number: 68002-21-1
cas number: 68955-24-8
cas number: 68002-24-4
cas number: 68037-27-4
cas number: 68036-97-5
cas number: 68002-20-0
cas number: 68511-75-1
cas number: 59588-08-8
cas number: 68002-25-5
cas number: 68511-73-9
smiles: C=O.C1(=NC(=NC(=N1)N)N)N
pubchem: 93374
in scheme: Conceptschema Chemische Stoffen
formula: C4H8N6O
inchikey: IVJISJACKSSFGE-UHFFFAOYSA-N
iupac name: formaldehyde; 1,3,5-triazine-2,4,6-triamine @en
broader: CHEMONTID_0001831
notation: melmnplmmfAh
inchi: InChI=1S/C3H6N6.CH2O/c4-1-7-2(5)9-3(6)8-1;1-2/h(H6,4,5,6,7,8,9);1H2

octinoxaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 155867-04-2
cas number: 5466-77-3
iupac name: ['2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate', '2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate'] @en
formula: C18H26O3
smiles: CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC
alternative label: 2-ethylhexyl-4-methoxycinnamaat
broader: CHEMONTID_0003480
pubchem: 5355130
inchi: InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+
inchikey: YBGZDTIWKVFICR-JLHYYAGUSA-N
notation: 2C2yC6y4C1ox

mebeverine hydrochloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: mebvrnHCL
broader: CHEMONTID_0002346
inchikey: PLGQWYOULXPJRE-UHFFFAOYSA-N
cas number: 2753-45-9
cas number: 3625-06-7
inchi: InChI=1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H
in scheme: Conceptschema Chemische Stoffen
iupac name: ['4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate; hydron; chloride', '4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate hydrochloride'] @en
formula: C25H36ClNO5
pubchem: 17683

chloorpromazine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 34468-21-8
cas number: 50-53-3
formula: C17H19ClN2S
inchikey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N
smiles: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
pubchem: 2726
broader: CHEMONTID_0000310
notation: Clpmzne
iupac name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3

4-isopropylaniline (cumidine)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 4-propan-2-ylaniline @en
inchi: InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
formula: C9H13N
alternative label: 4-isopropylaniline (Cumidine)
broader: CHEMONTID_0000355
inchikey: LRTFPLFDLJYEKT-UHFFFAOYSA-N
smiles: CC(C)C1=CC=C(C=C1)N
notation: 4iC3yAn
cas number: 99-88-7
pubchem: 7464
in scheme: Conceptschema Chemische Stoffen

piperonal
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 8438
cas number: 30024-74-9
cas number: 120-57-0
in scheme: Conceptschema Chemische Stoffen
inchikey: SATCULPHIDQDRE-UHFFFAOYSA-N
inchi: InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
iupac name: 1,3-benzodioxole-5-carbaldehyde @en
formula: C8H6O3
notation: piprnl
broader: CHEMONTID_0000296
smiles: C1OC2=C(O1)C=C(C=C2)C=O

o-(fenylkwikoxy)fenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 27360-58-3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000137
notation: oFyHgOxFol
pubchem: 33793
formula: C12H10HgO2
inchikey: DNZXWDUPPLHSQL-UHFFFAOYSA-N
smiles: C1=CC=C(C=C1)[Hg]C2=C(C=C(C=C2)O)O
inchi: InChI=1S/C6H5O2.C6H5.Hg/c7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1;/h1-2,4,7-8H;1-5H;
iupac name: (2,4-dihydroxyphenyl)-phenylmercury @en

nitroglycerine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C3H5N3O9
in scheme: Conceptschema Chemische Stoffen
inchikey: SNIOPGDIGTZGOP-UHFFFAOYSA-N
pubchem: 4510
notation: NO2gcrne
broader: CHEMONTID_0004091
inchi: InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
cas number: 80066-48-4
cas number: 55-63-0
cas number: 105469-31-6
cas number: 8013-23-8
cas number: 9010-02-0
smiles: C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
iupac name: 1,3-dinitrooxypropan-2-yl nitrate @en

benzo(b)fluoreen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C17H12
smiles: C1C2=CC=CC=C2C3=CC4=CC=CC=C4C=C31
broader: CHEMONTID_0000020
iupac name: 11H-Benzo[b]fluorene @en
cas number: 243-17-4
cas number: 30777-19-6
inchi: InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2
pubchem: 9201
notation: BbFle
inchikey: HAPOJKSPCGLOOD-UHFFFAOYSA-N

4-methyl-3-nitroaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3
notation: 4C1y3NO2An
in scheme: Conceptschema Chemische Stoffen
pubchem: 8390
broader: CHEMONTID_0000036
inchikey: GDIIPKWHAQGCJF-UHFFFAOYSA-N
formula: C7H8N2O2
smiles: CC1=C(C=C(C=C1)N)[N+](=O)[O-]
cas number: 119-32-4
iupac name: 4-Methyl-3-nitroaniline @en

cyclododecaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: DDTBPAQBQHZRDW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001016
formula: C12H24
cas number: 294-62-2
cas number: 46133-53-3
iupac name: CYCLODODECANE @en
notation: cycC12a
smiles: C1CCCCCCCCCCC1
pubchem: 9268
inchi: InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2

chloormequat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 13837
in scheme: Conceptschema Chemische Stoffen
smiles: C[N+](C)(C)CCCl
broader: CHEMONTID_0004225
formula: C5H13ClN+
cas number: 7003-89-6
inchikey: JUZXDNPBRPUIOR-UHFFFAOYSA-N
inchi: InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1
iupac name: 2-chloroethyl-trimethylazanium @en
notation: clmqat

oleandomycinefosfaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: oladmcnPO4
formula: C35H64NO16P
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C35H61NO12.H3O4P/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-5(2,3)4/h16-31,34,37-39H,12-15H2,1-11H3;(H3,1,2,3,4)/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+;/m0./s1
pubchem: 72492
inchikey: RLPCJGKQKFMBEI-UOBLTHIJSA-N
iupac name: (3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione; phosphoric acid @en
broader: CHEMONTID_0000282
cas number: 7060-74-4

1-nonanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 143-08-8
cas number: 28473-21-4
formula: C9H20O
broader: CHEMONTID_0001334
iupac name: Nonan-1-ol @en
inchikey: ZWRUINPWMLAQRD-UHFFFAOYSA-N
notation: 1C9ol
pubchem: 8914
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCO
inchi: InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3

thallium 201
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: [Tl]
inchi: InChI=1S/Tl/i1-3
inchikey: BKVIYDNLLOSFOA-OIOBTWANSA-N
notation: Tl201
pubchem: 5461982
formula: Tl
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
cas number: 15064-65-0
iupac name: thallium-201 @en

3-nitrobenzeensulfonzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 3-NITROBENZENESULFONIC ACID @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)
broader: CHEMONTID_0000032
smiles: C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-]
inchikey: ONMOULMPIIOVTQ-UHFFFAOYSA-N
formula: C6H5NO5S
notation: 3NO2Bensfzr
cas number: 98-47-5
pubchem: 7387

methylbenzoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
comment: VLAREM II bijlage 4.4.2
pubchem: 7150
inchikey: QPJVMBTYPHYUOC-UHFFFAOYSA-N
iupac name: Methyl benzoate @en
cas number: 93-58-3
formula: C8H8O2
smiles: COC(=O)C1=CC=CC=C1
inchi: InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
broader: CHEMONTID_0001350

trichloorfon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: TClfn
iupac name: ['hydroxy-dimethoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphanium', '2,2,2-trichloro-1-dimethoxyphosphorylethanol'] @en
smiles: COP(=O)(C(C(Cl)(Cl)Cl)O)OC
in scheme: Conceptschema Chemische Stoffen
cas number: 66758-31-4
cas number: 37333-09-8
cas number: 50924-44-2
cas number: 52-68-6
cas number: 56042-25-2
formula: C4H8Cl3O4P
pubchem: 5853
broader: CHEMONTID_0004482
inchikey: NFACJZMKEDPNKN-UHFFFAOYSA-N
inchi: InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3

ethylaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0003924
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
inchikey: OJGMBLNIHDZDGS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 103-69-5
notation: C2yAn
pubchem: 7670
iupac name: N-Ethylaniline @en
smiles: CCNC1=CC=CC=C1

mevinfos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: mevfs
notation: cmevfs
pubchem: 5355863
cas number: 243464-31-5
cas number: 26718-65-0
cas number: 298-01-1
cas number: 7786-34-7
alternative label: cis-mevinfos
broader: CHEMONTID_0000324
inchikey: GEPDYQSQVLXLEU-AATRIKPKSA-N
smiles: CC(=CC(=O)OC)OP(=O)(OC)OC
formula: C7H13O6P
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+
iupac name: ['methyl 3-dimethoxyphosphoryloxybut-2-enoate', 'methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate'] @en

ijzer(ii)sulfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
notation: FeSO4
cas number: 56172-58-8
cas number: 7720-78-7
cas number: 8063-79-4
cas number: 8060-18-2
cas number: 139939-63-2
cas number: 16547-58-3
pubchem: 24393
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000858
alternative label: ijzer(II)sulfaat
inchikey: BAUYGSIQEAFULO-UHFFFAOYSA-L
iupac name: iron(+2) cation sulfate @en
formula: FeO4S
smiles: [O-]S(=O)(=O)[O-].[Fe+2]

dimethylamine dicamba
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 16811
cas number: 136365-67-8
cas number: 2300-66-5
formula: C10H13Cl2NO3
notation: DC1yAeDcba
inchikey: JDRFUUBRGGDEIZ-UHFFFAOYSA-N
smiles: CNC.COC1=C(C=CC(=C1C(=O)O)Cl)Cl
inchi: InChI=1S/C8H6Cl2O3.C2H7N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3-2/h2-3H,1H3,(H,11,12);3H,1-2H3
iupac name: 3,6-dichloro-2-methoxybenzoic acid; N-methylmethanamine @en
broader: CHEMONTID_0002345
in scheme: Conceptschema Chemische Stoffen

1,2-dinitrobenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 528-29-0
notation: 12DNO2Ben
broader: CHEMONTID_0000036
inchikey: IZUKQUVSCNEFMJ-UHFFFAOYSA-N
formula: C6H4N2O4
iupac name: 1,2-Dinitrobenzene @en
inchi: InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H
pubchem: 10707
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]

pyrethrin II
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
alternative label: pyrethrin ii
formula: C22H28O5
cas number: 121-29-9
pubchem: 5281555
inchi: InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1
iupac name: [(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate @en
inchikey: VJFUPGQZSXIULQ-XIGJTORUSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001724
notation: pyrtnII

dimethylacetamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 31374
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
iupac name: N,N-Dimethylacetamide @en
notation: DC1yacAd
smiles: CC(=O)N(C)C
broader: CHEMONTID_0001664
inchikey: FXHOOIRPVKKKFG-UHFFFAOYSA-N
cas number: 127-19-5
formula: C4H9NO

3,7-dimethylnonaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 17302-32-8
in scheme: Conceptschema Chemische Stoffen
notation: 37DC1yC9a
pubchem: 28458
formula: C11H24
smiles: CCC(C)CCCC(C)CC
iupac name: 3,7-DIMETHYLNONANE @en
inchi: InChI=1S/C11H24/c1-5-10(3)8-7-9-11(4)6-2/h10-11H,5-9H2,1-4H3
inchikey: YGPVLXJHRFZYJJ-UHFFFAOYSA-N
broader: CHEMONTID_0004620

amitriptyline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C20H23N
inchi: InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
cas number: 50-48-6
cas number: 30227-34-0
inchikey: KRMDCWKBEZIMAB-UHFFFAOYSA-N
smiles: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
notation: amttlne
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000019
iupac name: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine @en
pubchem: 2160

curium 243
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: [Cm]
iupac name: curium-243 @en
in scheme: Conceptschema Chemische Stoffen
notation: Cm243
pubchem: 105155
broader: CHEMONTID_0000430
inchikey: NIWWFAAXEMMFMS-AHCXROLUSA-N
cas number: 15757-87-6
formula: Cm
inchi: InChI=1S/Cm/i1-4

isocarbofos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: propan-2-yl 2-(amino-methoxyphosphinothioyl)oxybenzoate @en
inchi: InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)
broader: CHEMONTID_0001350
cas number: 24353-61-5
cas number: 39284-27-0
inchikey: YFVOXLJXJBQDEF-UHFFFAOYSA-N
notation: icbfs
formula: C11H16NO4PS
pubchem: 90479
smiles: CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC
in scheme: Conceptschema Chemische Stoffen

tetrafosfor
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 12185-10-3
cas number: 51273-58-6
formula: P4
notation: P4
inchi: InChI=1S/P4/c1-2-3(1)4(1)2
iupac name: 1,2,3,4-tetraphosphatricyclo[1.1.0.02,4]butane @en
in scheme: Conceptschema Chemische Stoffen
inchikey: OBSZRRSYVTXPNB-UHFFFAOYSA-N
pubchem: 123286
smiles: P12P3P1P23
broader: CHEMONTID_0000434

mianserine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42.Cl
in scheme: Conceptschema Chemische Stoffen
pubchem: 68551
cas number: 78644-54-9
cas number: 21535-47-7
cas number: 24219-97-4
inchi: InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
broader: CHEMONTID_0000320
formula: C18H21ClN2
notation: miasrne
inchikey: YNPFMWCWRVTGKJ-UHFFFAOYSA-N
iupac name: 5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene;hydrochloride @en

? -chloortolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003980
inchi: InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
inchikey: KCXMKQUNVWSEMD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)CCl
cas number: 27987-13-9
cas number: 25168-05-2
cas number: 100-44-7
alternative label: alfa-chloortolueen
alternative label: alfa-chloortolueen (benzylchloride)
alternative label: benzylchloride
comment: VLAREM II bijlage 4.4.2
formula: C7H7Cl
notation: benzCl
pubchem: 7503
iupac name: Chloromethylbenzene @en

thorium 231
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000430
smiles: [Th]
cas number: 14932-40-2
inchi: InChI=1S/Th/i1-1
notation: Th231
pubchem: 167210
formula: Th
inchikey: ZSLUVFAKFWKJRC-BJUDXGSMSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: thorium-231 @en

naftaleen-2,6-disulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003601
cas number: 581-75-9
formula: C10H8O6S2
inchi: InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)
notation: Naf26Dsfzr
pubchem: 11390
inchikey: FITZJYAVATZPMJ-UHFFFAOYSA-N
iupac name: Naphthalene-2,6-disulfonic acid @en

trimethyloctadecylammonium bromide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: trimethyl-octadecylazanium bromide @en
inchi: InChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
pubchem: 70708
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
inchikey: SZEMGTQCPRNXEG-UHFFFAOYSA-M
notation: TC1yC18yNH4B
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
cas number: 1120-02-1
formula: C21H46BrN

benzothiazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: benztazl
pubchem: 7222
formula: C7H5NS
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
cas number: 128366-28-9
cas number: 95-16-9
iupac name: 1,3-benzothiazole @en
inchi: InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
inchikey: IOJUPLGTWVMSFF-UHFFFAOYSA-N
smiles: C1=CC=C2C(=C1)N=CS2
alternative label: benzothiazole

protactinium 230
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: Pa230
inchikey: XLROVYAPLOFLNU-BJUDXGSMSA-N
inchi: InChI=1S/Pa/i1-1
broader: CHEMONTID_0000430
cas number: 15766-10-6
iupac name: protactinium-230 @en
pubchem: 177681
in scheme: Conceptschema Chemische Stoffen
smiles: [Pa]
formula: Pa

2-butoxyethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CCCCOCCO
iupac name: 2-Butoxyethanol @en
pubchem: 8133
broader: CHEMONTID_0001167
is referenced by: LUC IV 012
is referenced by: LUC IV 003
is referenced by: LUC IV 000
comment: VLAR II bijl. 4.4.2
cas number: 111-76-2
cas number: 9004-77-7
inchikey: POAOYUHQDCAZBD-UHFFFAOYSA-N
inchi: InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
notation: 2C4oxC2ol
formula: C6H14O2
in scheme: Conceptschema Chemische Stoffen

temazepam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 846-50-4
formula: C16H13ClN2O2
inchi: InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
broader: CHEMONTID_0004097
inchikey: SEQDDYPDSLOBDC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 5391
notation: temzpm
iupac name: 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one @en

octylbicyclohepteendicarboximide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3
cas number: 113-48-4
broader: CHEMONTID_0001820
smiles: CCCCC(CC)CN1C(=O)C2C3CC(C2C1=O)C=C3
formula: C17H25NO2
pubchem: 8227
iupac name: 4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione @en
inchikey: WLLGXSLBOPFWQV-UHFFFAOYSA-N
notation: C8ybccC7eDcb
in scheme: Conceptschema Chemische Stoffen

thorium 234
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: ZSLUVFAKFWKJRC-NJFSPNSNSA-N
in scheme: Conceptschema Chemische Stoffen
formula: Th
smiles: [Th]
inchi: InChI=1S/Th/i1+2
pubchem: 104875
iupac name: thorium-234 @en
notation: Th234
broader: CHEMONTID_0000430
cas number: 15065-10-8

pebulaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: peblt
smiles: CCCCN(CC)C(=O)SCCC
inchi: InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3
broader: CHEMONTID_0001368
in scheme: Conceptschema Chemische Stoffen
inchikey: SGEJQUSYQTVSIU-UHFFFAOYSA-N
pubchem: 14215
cas number: 1114-71-2
iupac name: S-propyl (butyl-ethylamino)methanethioate @en
formula: C10H21NOS

2,2',3,3',4,4',5,6'-octachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C12H2Cl8
pubchem: 39253
iupac name: 1,2,3,4-tetrachloro-5-(2,3,4,6-tetrachlorophenyl)benzene @en
broader: CHEMONTID_0003030
cas number: 42740-50-1
inchi: InChI=1S/C12H2Cl8/c13-4-2-6(15)9(17)11(19)7(4)3-1-5(14)10(18)12(20)8(3)16/h1-2H
inchikey: BQFCCUSDZLKBJG-UHFFFAOYSA-N
notation: PCB196
in scheme: Conceptschema Chemische Stoffen

carbendazim
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 102040-01-7
cas number: 63278-70-6
cas number: 39413-19-9
cas number: 63090-40-4
cas number: 105268-95-9
cas number: 10605-21-7
cas number: 212384-28-6
cas number: 59758-95-1
cas number: 110342-67-1
cas number: 37953-07-4
broader: CHEMONTID_0004711
notation: carbdzm
inchi: InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
inchikey: TWFZGCMQGLPBSX-UHFFFAOYSA-N
pubchem: 25429
smiles: COC(=O)NC1=NC2=CC=CC=C2N1
iupac name: methyl N-(1H-benzimidazol-2-yl)carbamate @en
formula: C9H9N3O2
in scheme: Conceptschema Chemische Stoffen

deltamethrin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: OWZREIFADZCYQD-NSHGMRRFSA-N
inchi: InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
cas number: 52918-63-5
cas number: 55700-96-4
cas number: 62229-77-0
pubchem: 40585
formula: C22H19Br2NO3
broader: CHEMONTID_0001461
notation: dmtn
iupac name: [(S)-cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
smiles: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
in scheme: Conceptschema Chemische Stoffen

amobarbital
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: ambbtl
iupac name: 5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione @en
smiles: CCC1(C(=O)NC(=O)NC1=O)CCC(C)C
in scheme: Conceptschema Chemische Stoffen
cas number: 57-43-2
broader: CHEMONTID_0000291
inchi: InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
pubchem: 2164
inchikey: VIROVYVQCGLCII-UHFFFAOYSA-N
formula: C11H18N2O3

thifensulfuron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid @en
broader: CHEMONTID_0004706
notation: thifsfrn
formula: C11H11N5O6S2
inchi: InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)
cas number: 79277-67-1
inchikey: LOQQVLXUKHKNIA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 91729

arseen 73
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 6336622
notation: As73
inchikey: RQNWIZPPADIBDY-YPZZEJLDSA-N
inchi: InChI=1S/As/i1-2
iupac name: arsenic-73 @en
cas number: 15422-59-0
smiles: [As]
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
formula: As

protactinium 233
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: Pa233
smiles: [Pa]
inchikey: XLROVYAPLOFLNU-NJFSPNSNSA-N
broader: CHEMONTID_0000430
pubchem: 115129
in scheme: Conceptschema Chemische Stoffen
iupac name: protactinium-233 @en
cas number: 13981-14-1
formula: Pa
inchi: InChI=1S/Pa/i1+2

fenpyroximaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: tert-butyl 4-[[[1,3-dimethyl-5-(phenoxy)pyrazol-4-yl]methylideneamino]oxymethyl]benzoate @en
cas number: 134098-61-6
cas number: 111812-58-9
broader: CHEMONTID_0002463
formula: C24H27N3O4
inchikey: YYJNOYZRYGDPNH-MFKUBSTISA-N
notation: fenprxmt
pubchem: 9576412
inchi: InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+

propiconazol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 43234
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole @en
notation: propcnzl
cas number: 60207-90-1
cas number: 75881-82-2
inchikey: STJLVHWMYQXCPB-UHFFFAOYSA-N
alternative label: propiconazol (som cis- en trans-)
broader: CHEMONTID_0002564
formula: C15H17Cl2N3O2

dibenz(a,j)acridine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: Dbenzajacdne
iupac name: 13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene @en
in scheme: Conceptschema Chemische Stoffen
formula: C21H13N
pubchem: 9177
inchi: InChI=1S/C21H13N/c1-3-7-16-14(5-1)9-11-20-18(16)13-19-17-8-4-2-6-15(17)10-12-21(19)22-20/h1-13H
inchikey: ANUCHZVCBDOPOX-UHFFFAOYSA-N
broader: CHEMONTID_0003017
cas number: 224-42-0

2,4-diaminoanisol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 24DAoansl
notation: 24DAoansSO4
cas number: 108066-98-4
cas number: 6219-67-6
cas number: 615-05-4
cas number: 39156-41-7
inchikey: FDJQHYWUHGBBTO-UHFFFAOYSA-N
pubchem: 38221
smiles: COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O
broader: CHEMONTID_0004670
alternative label: 2,4-diaminoanisolsulfaat
in scheme: Conceptschema Chemische Stoffen
formula: C7H12N2O5S
inchi: InChI=1S/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)
iupac name: 4-methoxybenzene-1,3-diamine; sulfuric acid @en

7-methylcoumarin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 2445-83-2
pubchem: 17131
inchi: InChI=1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3
smiles: CC1=CC2=C(C=C1)C=CC(=O)O2
broader: CHEMONTID_0000145
formula: C10H8O2
notation: 7C1ycmrn
inchikey: DLHXRDUXNVEIEY-UHFFFAOYSA-N
iupac name: 7-methylchromen-2-one @en

butaandizuur, diethylester
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 68989-32-2
cas number: 123-25-1
pubchem: 31249
iupac name: Diethyl butanedioate @en
formula: C8H14O4
inchi: InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
broader: CHEMONTID_0000324
smiles: CCOC(=O)CCC(=O)OCC
inchikey: DKMROQRQHGEIOW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: C4aDzrDC2yEs

2-methyl isoborneol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CC1(C2CCC1(C(C2)(C)O)C)C
inchikey: LFYXNXGVLGKVCJ-UHFFFAOYSA-N
iupac name: 1,6,7,7-tetramethylbicyclo[2.2.1]heptan-6-ol @en
cas number: 2371-42-8
cas number: 18680-50-7
cas number: 27695-81-4
cas number: 95097-54-4
cas number: 112548-27-3
notation: 2C1yibnol
pubchem: 16913
broader: CHEMONTID_0001564
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3
formula: C11H20O

ethofenprox
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C25H28O3
iupac name: 1-ethoxy-4-[2-methyl-1-[[3-(phenoxy)phenyl]methoxy]propan-2-yl]benzene @en
pubchem: 71245
broader: CHEMONTID_0004155
cas number: 80844-07-1
notation: etfpx
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3
inchikey: YREQHYQNNWYQCJ-UHFFFAOYSA-N

2-amino-6-nitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2-Methyl-3-nitroaniline @en
inchi: InChI=1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3
in scheme: Conceptschema Chemische Stoffen
notation: 2Ao6NO2Tol
formula: C7H8N2O2
cas number: 603-83-8
pubchem: 11783
smiles: CC1=C(C=CC=C1[N+](=O)[O-])N
inchikey: HFCFJYRLBAANKN-UHFFFAOYSA-N
broader: CHEMONTID_0000036

waterstof
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: H
smiles: [H]
pubchem: 5362549
iupac name: Hydrogen @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/H
formula: H
broader: CHEMONTID_0000552
inchikey: YZCKVEUIGOORGS-UHFFFAOYSA-N
cas number: 1333-74-0

4-dimethylaminopyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: VHYFNPMBLIVWCW-UHFFFAOYSA-O
notation: 4DC1yAoprdne
in scheme: Conceptschema Chemische Stoffen
pubchem: 2735020
broader: CHEMONTID_0003901
inchi: InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3/p+1
iupac name: N,N-dimethylpyridin-1-ium-4-amine @en
cas number: 1122-58-3
formula: C7H11N2+
smiles: CN(C)C1=CC=[NH+]C=C1

4-nitroaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 7475
inchi: InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
smiles: C1=CC(=CC=C1N)[N+](=O)[O-]
inchikey: TYMLOMAKGOJONV-UHFFFAOYSA-N
formula: C6H6N2O2
broader: CHEMONTID_0000036
cas number: 100-01-6
cas number: 38013-32-0
iupac name: ['4-Nitroaniline', 'N,N-dihydroxybenzene-1,4-diamine'] @en
in scheme: Conceptschema Chemische Stoffen
notation: 4NO2An

traseolide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 91696
broader: CHEMONTID_0000027
in scheme: Conceptschema Chemische Stoffen
inchikey: IMRYETFJNLKUHK-UHFFFAOYSA-N
cas number: 68140-48-7
formula: C18H26O
iupac name: 1-(1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone @en
inchi: InChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3
notation: ATTI

scandium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7440-20-2
cas number: 14391-83-4
cas number: 195161-76-3
iupac name: SCANDIUM @en
formula: Sc
inchikey: SIXSYDAISGFNSX-UHFFFAOYSA-N
pubchem: 23952
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Sc
notation: Sc
smiles: [Sc]

prednicarbaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 52421
inchikey: FNPXMHRZILFCKX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: [2-(17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] propanoate @en
inchi: InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3
broader: CHEMONTID_0001468
cas number: 73771-04-7
notation: predncbt
formula: C27H36O8

flutolanil
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: PTCGDEVVHUXTMP-UHFFFAOYSA-N
inchi: InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
cas number: 66332-96-5
cas number: 84461-35-8
iupac name: N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide @en
formula: C17H16F3NO2
notation: flutlnl
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004713
pubchem: 47898

3,4-dichloorbenzeencarbonzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C7H4Cl2O2
inchikey: VPHHJAOJUJHJKD-UHFFFAOYSA-N
smiles: C1=CC(=C(C=C1C(=O)O)Cl)Cl
broader: CHEMONTID_0002611
pubchem: 5817
iupac name: 3,4-Dichlorobenzoic acid @en
inchi: InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
cas number: 51-44-5
notation: 34DClBencbzr

dibroomchloormethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: GATVIKZLVQHOMN-UHFFFAOYSA-N
iupac name: dibromo-chloromethane @en
formula: CHBr2Cl
cas number: 124-48-1
in scheme: Conceptschema Chemische Stoffen
notation: DBrClC1a
pubchem: 31296
smiles: C(Cl)(Br)Br
broader: CHEMONTID_0004160
inchi: InChI=1S/CHBr2Cl/c2-1(3)4/h1H

2,4'-methoxychloor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: KNLLPAOBVIKLDE-UHFFFAOYSA-N
formula: C16H15Cl3O2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H15Cl3O2/c1-20-12-9-7-11(8-10-12)15(16(17,18)19)13-5-3-4-6-14(13)21-2/h3-10,15H,1-2H3
notation: 24C1oxCl
iupac name: 1-methoxy-2-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene @en
pubchem: 35405
broader: CHEMONTID_0000369
cas number: 30667-99-3

o-toluidine hydrochloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: otolidnHCl
iupac name: 2-METHYLANILINE HYDROCHLORIDE @en
inchi: InChI=1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H
formula: C7H10ClN
broader: CHEMONTID_0003964
smiles: CC1=CC=CC=C1N.Cl
in scheme: Conceptschema Chemische Stoffen
cas number: 636-21-5
pubchem: 12484
inchikey: OGVXWEOZQMAAIM-UHFFFAOYSA-N

octylfenoxypolyethoxyethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 53663-54-0
cas number: 77137-66-7
cas number: 63172-50-9
cas number: 54834-97-8
cas number: 39341-03-2
cas number: 52628-05-4
cas number: 50815-48-0
cas number: 39316-46-6
cas number: 71538-51-7
cas number: 141443-66-5
cas number: 11130-43-1
cas number: 9036-19-5
cas number: 59112-84-4
cas number: 188612-22-8
cas number: 68310-57-6
cas number: 9081-83-8
cas number: 55600-46-9
cas number: 58056-95-4
cas number: 120026-27-9
cas number: 1336-60-3
cas number: 53858-66-5
cas number: 12679-74-2
cas number: 39320-65-5
cas number: 39283-49-3
cas number: 73904-96-8
in scheme: Conceptschema Chemische Stoffen
notation: C8yfOxplC2ox
pubchem: 24775
broader: CHEMONTID_0002811
inchi: InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3
formula: C18H30O3
inchikey: LBCZOTMMGHGTPH-UHFFFAOYSA-N
smiles: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCO
iupac name: 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol @en

propafos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CCCOP(=O)(OCCC)OC1=CC=C(C=C1)SC
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004742
pubchem: 23717
cas number: 7292-16-2
notation: propfs
inchikey: PWYIUEFFPNVCMW-UHFFFAOYSA-N
iupac name: (4-methylsulfanylphenyl) dipropyl phosphate @en
inchi: InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3
formula: C13H21O4PS

thiofanaat-ethyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 37359-51-6
cas number: 23564-06-9
cas number: 39300-54-4
cas number: 37233-54-8
inchikey: YFNCATAIYKQPOO-UHFFFAOYSA-N
iupac name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate @en
notation: tofnC2y
broader: CHEMONTID_0002279
inchi: InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)
in scheme: Conceptschema Chemische Stoffen
formula: C14H18N4O4S2
pubchem: 31991

azaconazool
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: AKNQMEBLVAMSNZ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole @en
notation: azacnzl
cas number: 60207-31-0
formula: C12H11Cl2N3O2
pubchem: 43233
broader: CHEMONTID_0002564

eprinomectin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: WPNHOHPRXXCPRA-TVXIRPTOSA-N
pubchem: 6450531
inchi: InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15-,33-14-/t26-,28-,30-,31-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,48+,49+/m0/s1
cas number: 159628-36-1
cas number: 123997-26-2
formula: C49H73NO14
notation: epnmtn
in scheme: Conceptschema Chemische Stoffen
iupac name: N-[(2S,3R,4R,6S)-6-[(2S,3R,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide @en
broader: CHEMONTID_0000147

1-chloor-1,1,2,2-tetrafluorethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001517
cas number: 354-25-6
inchi: InChI=1S/C2HClF4/c3-2(6,7)1(4)5/h1H
iupac name: 1-Chloro-1,1,2,2-tetrafluoroethane @en
formula: C2HClF4
in scheme: Conceptschema Chemische Stoffen
pubchem: 9632
smiles: C(C(F)(F)Cl)(F)F
notation: HCFK124a
inchikey: JQZFYIGAYWLRCC-UHFFFAOYSA-N

fensulfothion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 8292
inchi: InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3
formula: C11H17O4PS2
inchikey: XDNBJTQLKCIJBV-UHFFFAOYSA-N
iupac name: diethoxy-(4-methylsulfinylphenoxy)-sulfanylidenephosphorane @en
notation: fensfton
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
cas number: 115-90-2
smiles: CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C

benomyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004711
formula: C14H18N4O3
cas number: 52683-56-4
cas number: 39357-40-9
cas number: 17804-35-2
pubchem: 28780
inchi: InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)
notation: benml
inchikey: RIOXQFHNBCKOKP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate @en
smiles: CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC

1,2,3,6,7,8-hexachloordibenzofuraan (hxcdf)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 57117-44-9
formula: C12H2Cl6O
pubchem: 42140
alternative label: 1,2,3,6,7,8-hexachloordibenzofuran
alternative label: 1,2,3,6,7,8-hexachloordibenzofuraan
iupac name: 1,2,3,6,7,8-HEXACHLORODIBENZOFURAN @en
inchikey: JEYJJJXOFWNEHN-UHFFFAOYSA-N
broader: CHEMONTID_0003029
inchi: InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
notation: PCDF121
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC VI 002

3-hydroxynaftaleen-2,7-disulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
notation: 3HOxNaf27Dsf
iupac name: disodium 3-hydroxynaphthalene-2,7-disulfonate @en
cas number: 135-51-3
cas number: 148-75-4
cas number: 39301-76-3
formula: C10H6Na2O7S2
in scheme: Conceptschema Chemische Stoffen
inchikey: VNEBWJSWMVTSHK-UHFFFAOYSA-L
inchi: InChI=1S/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
broader: CHEMONTID_0003601
pubchem: 8673

1,2-dichloor-1,1-difluorethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C2H2Cl2F2
notation: HCFK132b
cas number: 1649-08-7
cas number: 25915-78-0
inchikey: SKDFWEPBABSFMG-UHFFFAOYSA-N
inchi: InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2
pubchem: 15442
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001517
smiles: C(C(F)(F)Cl)Cl
iupac name: 1,2-DICHLORO-1,1-DIFLUOROETHANE @en

3,3’-dichloorbenzidine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
alternative label: 3,3'-dichloorbenzidine
inchikey: HUWXDEQWWKGHRV-UHFFFAOYSA-N
cas number: 91-94-1
cas number: 86349-58-8
comment: VLAREM II bijlage 4.4.2
formula: C12H10Cl2N2
broader: CHEMONTID_0003956
notation: 33DClbzdne
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N
iupac name: 4-(4-amino-3-chlorophenyl)-2-chloroaniline @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 7070

PCB 156
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003030
alternative label: pcb 156
alternative label: 2,3,3',4,4',5-hexachloorbifenyl
formula: C12H4Cl6
pubchem: 38019
is referenced by: LUC VI 002
cas number: 38380-08-4
inchi: InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H
in scheme: Conceptschema Chemische Stoffen
comment: VLAR III (D3) 'dioxineachtige PCB's'
iupac name: 1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene @en
inchikey: LCXMEXLGMKFLQO-UHFFFAOYSA-N
notation: PCB156

6:2 fluortelomeerfosfaat monoester
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 57678-01-0
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate @en
inchi: InChI=1S/C8H6F13O4P/c9-3(10,1-2-25-26(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24)
notation: 6:2 PAP
formula: C8H6F13O4P
in scheme: Conceptschema Chemische Stoffen
pubchem: 14250578
broader: CHEMONTID_0003458
inchikey: FZTRDYSPWWJCOF-UHFFFAOYSA-N

tramadol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 33741
formula: C16H25NO2
cas number: 27203-92-5
inchikey: TVYLLZQTGLZFBW-ZBFHGGJFSA-N
broader: CHEMONTID_0000138
inchi: InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
in scheme: Conceptschema Chemische Stoffen
notation: tramdl
smiles: CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O
iupac name: (1R,2R)-2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol @en

4-chloor-2-nitrotolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: 4Cl2NO2Tol
broader: CHEMONTID_0000036
iupac name: 4-chloro-1-methyl-2-nitrobenzene @en
inchikey: SQFLFRQWPBEDHM-UHFFFAOYSA-N
inchi: InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
in scheme: Conceptschema Chemische Stoffen
formula: C7H6ClNO2
cas number: 89-59-8
smiles: CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
pubchem: 6975

8-hydroxypennelic acid
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CC1(C(N2C(S1)C(NC2=O)C(=O)O)C(=O)O)C
broader: CHEMONTID_0000060
cas number: 3053-85-8
inchi: InChI=1S/C9H12N2O5S/c1-9(2)4(7(14)15)11-5(17-9)3(6(12)13)10-8(11)16/h3-5H,1-2H3,(H,10,16)(H,12,13)(H,14,15)
iupac name: 2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid @en
formula: C9H12N2O5S
inchikey: RXVCHKFNBPFYCC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: 8-HPA
pubchem: 6451507

dimethyltrisulfide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: methylsulfanyldisulfanylmethane @en
broader: CHEMONTID_0002799
formula: C2H6S3
cas number: 3658-80-8
cas number: 85931-54-0
inchi: InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 19310
inchikey: YWHLKYXPLRWGSE-UHFFFAOYSA-N
notation: DC1yTS
smiles: CSSSC

acefaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 115096-11-2
cas number: 30560-19-1
notation: acft
broader: CHEMONTID_0001438
pubchem: 1982
inchi: InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)
smiles: CC(=O)NP(=O)(OC)SC
in scheme: Conceptschema Chemische Stoffen
inchikey: YASYVMFAVPKPKE-UHFFFAOYSA-N
iupac name: N-(methoxy-methylsulfanylphosphoryl)acetamide @en
formula: C4H10NO3PS

methylmethacrylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 80-62-6
cas number: 162221-54-7
cas number: 220713-32-6
cas number: 9065-11-6
comment: VLAR II bijl. 4.4.2
iupac name: methyl 2-methylprop-2-enoate @en
smiles: CC(=C)C(=O)OC
broader: CHEMONTID_0003626
pubchem: 6658
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 004
is referenced by: LUC IV 012
is referenced by: LUC IV 000
formula: C5H8O2
inchikey: VVQNEPGJFQJSBK-UHFFFAOYSA-N
notation: C1ymtclt
inchi: InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3

2,3-dichloorbenzeencarbonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002611
notation: 23DClBencbzr
smiles: C1=CC(=C(C(=C1)Cl)Cl)C(=O)O
inchi: InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
iupac name: 2,3-DICHLOROBENZOIC ACID @en
cas number: 50-45-3
inchikey: QAOJBHRZQQDFHA-UHFFFAOYSA-N
formula: C7H4Cl2O2
pubchem: 5765
in scheme: Conceptschema Chemische Stoffen

1,5-pentaandiamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 273
formula: C5H14N2
iupac name: PENTANE-1,5-DIAMINE @en
cas number: 462-94-2
inchi: InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
broader: CHEMONTID_0000469
notation: 15C5aDAe
smiles: C(CCN)CCN
in scheme: Conceptschema Chemische Stoffen
inchikey: VHRGRCVQAFMJIZ-UHFFFAOYSA-N

beta-sitosterol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 83-46-5
notation: bsitsrl
iupac name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol @en
pubchem: 222284
broader: CHEMONTID_0002031
formula: C29H50O
inchikey: KZJWDPNRJALLNS-VJSFXXLFSA-N
inchi: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1

hexamethylfosforamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 51557-01-8
cas number: 24992-55-0
cas number: 630-31-9
cas number: 680-31-9
pubchem: 12679
in scheme: Conceptschema Chemische Stoffen
notation: HxC1yPAd
inchi: InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
smiles: CN(C)P(=O)(N(C)C)N(C)C
iupac name: ['N-bis(dimethylamino)phosphoryl-N-methylmethanamine', 'tris(dimethylamino)-hydroxyphosphanium'] @en
formula: C6H18N3OP
broader: CHEMONTID_0001204
inchikey: GNOIPBMMFNIUFM-UHFFFAOYSA-N

4,5-dichloor-2-octyl-2H-isothiazool-3-on
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C11H17Cl2NOS
iupac name: 4,5-dichloro-2-octyl-1,2-thiazol-3-one @en
inchi: InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3
smiles: CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl
pubchem: 91688
alternative label: 4,5-dichloor-2-octyl-2h-isothiazool-3-on
notation: 45DCl2C8y2Hi
inchikey: PORQOHRXAJJKGK-UHFFFAOYSA-N
broader: CHEMONTID_0001030
in scheme: Conceptschema Chemische Stoffen
cas number: 64359-81-5

2-anisidine hydrochloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H9NO.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H
formula: C7H10ClNO
inchikey: XCZCWGVXRBJCCD-UHFFFAOYSA-N
iupac name: 2-Methoxyaniline hydrochloride @en
notation: 2ansdnHCl
smiles: COC1=CC=CC=C1N.Cl
broader: CHEMONTID_0004670
pubchem: 8638
cas number: 134-29-2

ethylazinfos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 17531
inchikey: RQVGAIADHNPSME-UHFFFAOYSA-N
alternative label: azinfos-ethyl
formula: C12H16N3O3PS2
smiles: CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1
notation: C2yazfs
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004660
cas number: 2642-71-9
iupac name: 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one @en

danofloxacin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: QMLVECGLEOSESV-RYUDHWBXSA-N
iupac name: 1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid @en
inchi: InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1
alternative label: danofloxacine
broader: CHEMONTID_0002552
notation: danfxcn
in scheme: Conceptschema Chemische Stoffen
cas number: 112398-08-0
pubchem: 71335
formula: C19H20FN3O3

dinotefuran
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 165252-70-0
pubchem: 197701
broader: CHEMONTID_0004667
iupac name: 2-methyl-3-nitro-1-(oxolan-3-ylmethyl)guanidine @en
inchikey: YKBZOVFACRVRJN-UHFFFAOYSA-N
smiles: CN=C(NCC1CCOC1)N[N+](=O)[O-]
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)
formula: C7H14N4O3
notation: Dntfrn

4-chloorfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002772
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-Chlorophenol @en
inchi: InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
formula: C6H5ClO
smiles: C1=CC(=CC=C1O)Cl
cas number: 106-48-9
inchikey: WXNZTHHGJRFXKQ-UHFFFAOYSA-N
notation: 4ClFol
pubchem: 4684

5-methyl-1H-benzotriazool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C7H7N3
inchi: InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
pubchem: 8705
iupac name: 5-methyl-2H-benzotriazole @en
cas number: 136-85-6
cas number: 49636-02-4
notation: 5C1y1Hbztazl
in scheme: Conceptschema Chemische Stoffen
inchikey: LRUDIIUSNGCQKF-UHFFFAOYSA-N
broader: CHEMONTID_0000315
smiles: CC1=CC2=NNN=C2C=C1

verapamil
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C27H38N2O4
cas number: 52-53-9
cas number: 56949-77-0
inchi: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
iupac name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile @en
smiles: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
notation: verpml
broader: CHEMONTID_0000014
pubchem: 2520
inchikey: SGTNSNPWRIOYBX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

fipronil-sulfon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C12H4Cl2F6N4O2S
inchikey: LGHZJDKSVUTELU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 120068-36-2
notation: fipnsfn
pubchem: 3078139
broader: CHEMONTID_0002019
smiles: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F
iupac name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile @en

benodanil
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C13H10INO
inchi: InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
inchikey: LJOZMWRYMKECFF-UHFFFAOYSA-N
notation: benodnl
iupac name: 2-Iodo-N-phenylbenzamide @en
smiles: C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2I
broader: CHEMONTID_0004713
cas number: 15310-01-7
pubchem: 27195

aceton
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
comment: VLAR II bijl. 4.4.2
is referenced by: LUC IV 000
is referenced by: LUC IV 012
is referenced by: LUC IV 007
is referenced by: LUC IV 011
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000118
formula: C3H6O
cas number: 67-64-1
pubchem: 180
iupac name: propan-2-one @en
smiles: CC(=O)C
notation: actn
inchikey: CSCPPACGZOOCGX-UHFFFAOYSA-N

oxamyl-oxime
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 30558-43-1
smiles: CN(C)C(=O)C(=NO)SC
inchi: InChI=1S/C5H10N2O2S/c1-7(2)5(8)4(6-9)10-3/h9H,1-3H3/b6-4+
broader: CHEMONTID_0001664
in scheme: Conceptschema Chemische Stoffen
notation: OamOxme
inchikey: KIDWGGCIROEJJW-GQCTYLIASA-N
formula: C5H10N2O2S
pubchem: 6399420
iupac name: (2E)-2-hydroxyimino-N,N-dimethyl-2-methylsulfanylacetamide @en

2-fenoxy-1-propanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002341
formula: C9H12O2
cas number: 157967-88-9
cas number: 4169-04-4
cas number: 38600-05-4
smiles: CC(CO)OC1=CC=CC=C1
in scheme: Conceptschema Chemische Stoffen
pubchem: 20129
inchi: InChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
inchikey: LOJHHQNEBFCTQK-UHFFFAOYSA-N
notation: 2fenOx1C3ol
iupac name: 2-(phenoxy)propan-1-ol @en

trifenylfosfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
in scheme: Conceptschema Chemische Stoffen
cas number: 115-86-6
cas number: 402955-02-6
inchikey: XZZNDPSIHUTMOC-UHFFFAOYSA-N
notation: TFyPO4
pubchem: 8289
formula: C18H15O4P
broader: CHEMONTID_0004619
iupac name: ['Triphenyl phosphate', 'hydroxy-tris(phenoxy)phosphanium'] @en

azadirachtin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002380
formula: C35H44O16
inchi: InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1
in scheme: Conceptschema Chemische Stoffen
pubchem: 5281303
inchikey: FTNJWQUOZFUQQJ-NDAWSKJSSA-N
notation: azdrtn
iupac name: dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate @en
cas number: 11141-17-6

imibenconazool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564
inchi: InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2
formula: C17H13Cl3N4S
notation: imbcnzl
pubchem: 93483
iupac name: 1-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimine @en
inchikey: AGKSTYPVMZODRV-UHFFFAOYSA-N
cas number: 86598-92-7

diisobutylftalaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001350
cas number: 68955-80-6
cas number: 84-69-5
cas number: 68951-39-3
formula: C16H22O4
inchi: InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
smiles: CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
in scheme: Conceptschema Chemische Stoffen
notation: DiC4yFt
pubchem: 6782
iupac name: bis(2-methylpropyl) benzene-1,2-dicarboxylate @en
alternative label: di-isobutylftalaat
inchikey: MGWAVDBGNNKXQV-UHFFFAOYSA-N

perfluordodecaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
alternative label: perfluor-n-dodecaanzuur (pfdoda)
alternative label: perfluor-n-dodecaanzuur
alternative label: perfluordodecaanzuur (pfdoda)
notation: PFDoA
notation: PFDoDA
in scheme: Conceptschema Chemische Stoffen
formula: C12HF23O2
inchi: InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)
cas number: 307-55-1
pubchem: 67545
inchikey: CXGONMQFMIYUJR-UHFFFAOYSA-N
broader: CHEMONTID_0003962
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid @en

jopromide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: DGAIEPBNLOQYER-UHFFFAOYSA-N
inchi: InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)
formula: C18H24I3N3O8
pubchem: 3736
iupac name: N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N'-methylbenzene-1,3-dicarboxamide @en
broader: CHEMONTID_0003100
in scheme: Conceptschema Chemische Stoffen
notation: jopmde
cas number: 73334-07-3

propanil
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: LFULEKSKNZEWOE-UHFFFAOYSA-N
smiles: CCC(=O)NC1=CC(=C(C=C1)Cl)Cl
cas number: 709-98-8
cas number: 11096-32-5
cas number: 110343-36-7
formula: C9H9Cl2NO
broader: CHEMONTID_0000285
notation: propnl
pubchem: 4933
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
iupac name: N-(3,4-Dichlorophenyl)propanamide @en

ofloxacine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
iupac name: 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid @en
cas number: 83380-47-6
cas number: 85344-55-4
cas number: 82419-36-1
notation: ofxcne
in scheme: Conceptschema Chemische Stoffen
pubchem: 4583
formula: C18H20FN3O4
broader: CHEMONTID_0002552
inchikey: GSDSWSVVBLHKDQ-UHFFFAOYSA-N

propyzamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: PHNUZKMIPFFYSO-UHFFFAOYSA-N
cas number: 66393-62-2
cas number: 11097-12-4
cas number: 23950-58-5
cas number: 11097-11-3
formula: C12H11Cl2NO
iupac name: 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide @en
pubchem: 32154
in scheme: Conceptschema Chemische Stoffen
notation: propAd
smiles: CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl
inchi: InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
broader: CHEMONTID_0003099

arseen (driewaardig)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 104734
in scheme: Conceptschema Chemische Stoffen
smiles: [As+3]
iupac name: arsenic(+3) cation @en
broader: CHEMONTID_0000431
cas number: 22541-54-4
inchikey: LULLIKNODDLMDQ-UHFFFAOYSA-N
inchi: InChI=1S/As/q+3
notation: AsIII
formula: As+3

PER (perchloorethyleen)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002863
smiles: C(=C(Cl)Cl)(Cl)Cl
iupac name: 1,1,2,2-Tetrachloroethene @en
notation: T4ClC2e
inchi: InChI=1S/C2Cl4/c3-1(4)2(5)6
alternative label: tetrachlooretheen
alternative label: per (perchloorethyleen)
alternative label: tetrachlooretheen (per)
alternative label: tetrachloorethyleen (per)
comment: VLAR II bijl. 4.4.2 'tetrachloorethyleen'
comment: VLAR II Art. 5.4.3.1.4 'perchloorethyleen'
comment: (PER bij droogkuis), 'tetrachloorethyleen', 'tetrachloorethyleen'
cas number: 127-18-4
is referenced by: LUC IV 011
is referenced by: LUC II 002
is referenced by: LUC IV 000
is referenced by: LUC IV 002
in scheme: Conceptschema Chemische Stoffen
pubchem: 31373
formula: C2Cl4
inchikey: CYTYCFOTNPOANT-UHFFFAOYSA-N

zwavelzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13537-15-0
cas number: 7664-93-9
cas number: 12772-98-4
cas number: 140623-70-7
cas number: 119540-51-1
cas number: 127529-01-5
broader: CHEMONTID_0001077
pubchem: 1118
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
comment: VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'
comment: VLAR III (D3) 'zwavelzuur'
alternative label: zwavelzuur (H2SO4)
notation: H2SO4
iupac name: Sulfuric acid @en
is referenced by: LUC III 008
smiles: OS(=O)(=O)O
inchikey: QAOWNCQODCNURD-UHFFFAOYSA-N
formula: H2O4S

5-chloor-2-methylaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 7260
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003964
smiles: CC1=C(C=C(C=C1)Cl)N
cas number: 95-79-4
inchi: InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
formula: C7H8ClN
notation: 5Cl2C1yAn
iupac name: 5-Chloro-2-methylaniline @en
inchikey: WRZOMWDJOLIVQP-UHFFFAOYSA-N

mecarbam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate @en
notation: mecbm
pubchem: 17434
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
formula: C10H20NO5PS2
inchikey: KLGMSAOQDHLCOS-UHFFFAOYSA-N
inchi: InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3
smiles: CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC
cas number: 2595-54-2

1-chloorpropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: SNMVRZFUUCLYTO-UHFFFAOYSA-N
cas number: 540-54-5
iupac name: 1-CHLOROPROPANE @en
broader: CHEMONTID_0001516
notation: 1ClC3a
in scheme: Conceptschema Chemische Stoffen
pubchem: 10899
inchi: InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3
smiles: CCCCl
formula: C3H7Cl

tetrabutylammonium bromide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: JRMUNVKIHCOMHV-UHFFFAOYSA-M
broader: CHEMONTID_0004225
notation: T4C4yNH4Br
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
iupac name: tetrabutylazanium bromide @en
cas number: 65129-09-1
cas number: 1643-19-2
cas number: 65129-13-7
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
pubchem: 74236
formula: C16H36BrN

morfine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 6211-15-0
cas number: 92004-19-8
cas number: 57-27-2
cas number: 66591-53-5
iupac name: (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;sulfuric acid;pentahydrate @en
pubchem: 6436139
notation: morfne
inchikey: XJIXIEBYTLLFCV-FAISOMDOSA-N
inchi: InChI=1S/C17H19NO3.H2O4S.5H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t10-,11+,13-,16-,17-;;;;;;/m0....../s1
broader: CHEMONTID_0000058
formula: C17H31NO12S

ijzer(ii)chloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 7758-94-3
cas number: 13478-10-9
inchi: InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2
alternative label: ijzer(II)chloride
iupac name: iron(2+);dichloride;tetrahydrate @en
notation: FeCl2
formula: Cl2FeH8O4
broader: CHEMONTID_0000588
inchikey: WSSMOXHYUFMBLS-UHFFFAOYSA-L
smiles: O.O.O.O.[Cl-].[Cl-].[Fe+2]
pubchem: 26063

valproinezuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: valpinzr
smiles: CCCC(CCC)C(=O)O
iupac name: 2-Propylpentanoic acid @en
cas number: 99-66-1
cas number: 117039-65-3
inchi: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
broader: CHEMONTID_0003544
pubchem: 3121
in scheme: Conceptschema Chemische Stoffen
formula: C8H16O2
inchikey: NIJJYAXOARWZEE-UHFFFAOYSA-N

sulfinol d
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000233
pubchem: 190009
iupac name: 1-(2-hydroxypropylamino)propan-2-ol; thiolane 1,1-dioxide; hydrate @en
inchi: InChI=1S/C6H15NO2.C4H8O2S.H2O/c1-5(8)3-7-4-6(2)9;5-7(6)3-1-2-4-7;/h5-9H,3-4H2,1-2H3;1-4H2;1H2
notation: sulfnD
inchikey: JCVAWLVWQDNEGS-UHFFFAOYSA-N
alternative label: sulfinol D
smiles: CC(CNCC(C)O)O.C1CCS(=O)(=O)C1.O
cas number: 63665-16-7
formula: C10H25NO5S

1-chloor-4-(methylsulfonyl)benzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
broader: CHEMONTID_0004233
pubchem: 7395
inchikey: LMCOQDVJBWVNNI-UHFFFAOYSA-N
notation: 1Cl4C1ysfnBe
cas number: 98-57-7
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-chloro-4-methylsulfonylbenzene @en
smiles: CS(=O)(=O)C1=CC=C(C=C1)Cl
formula: C7H7ClO2S

carfentrazon-ethyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 86222
notation: carftznC2y
formula: C15H14Cl2F3N3O3
in scheme: Conceptschema Chemische Stoffen
inchikey: MLKCGVHIFJBRCD-UHFFFAOYSA-N
iupac name: ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate @en
broader: CHEMONTID_0003314
cas number: 128639-02-1

2,2-dichloor-1,1,1-trifluorethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 2,2-DICHLORO-1,1,1-TRIFLUOROETHANE @en
inchi: InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H
in scheme: Conceptschema Chemische Stoffen
pubchem: 9385
inchikey: OHMHBGPWCHTMQE-UHFFFAOYSA-N
smiles: C(C(F)(F)F)(Cl)Cl
formula: C2HCl2F3
cas number: 306-83-2
notation: HCFK123
broader: CHEMONTID_0001517

rimexolon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17?,18?,19+,21?,22+,23+,24-/m1/s1
pubchem: 39507
broader: CHEMONTID_0003058
in scheme: Conceptschema Chemische Stoffen
inchikey: QTTRZHGPGKRAFB-PAIWTFDUSA-N
cas number: 49697-38-3
formula: C24H34O3
notation: rimoln
iupac name: (10R,11S,13S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one @en

1,2,3-benzotriazool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 94160-69-7
cas number: 95-14-7
cas number: 25377-81-5
cas number: 28880-01-5
cas number: 116421-31-9
cas number: 70644-74-5
cas number: 27556-51-0
cas number: 273-02-9
alternative label: benzotriazool
broader: CHEMONTID_0000315
inchikey: QRUDEWIWKLJBPS-UHFFFAOYSA-N
inchi: InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
smiles: C1=CC2=NNN=C2C=C1
notation: 123benztazl
iupac name: 2H-Benzotriazole @en
pubchem: 7220
formula: C6H5N3
in scheme: Conceptschema Chemische Stoffen

trans-deltamethrin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: OWZREIFADZCYQD-DXCJPMOASA-N
broader: CHEMONTID_0001461
smiles: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
inchi: InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18?,20-/m0/s1
notation: tdmtn
formula: C22H19Br2NO3
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 64363-96-8
pubchem: 47354

2-chloor-6-fluorbenzamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C1=CC(=C(C(=C1)Cl)C(=O)N)F
inchi: InChI=1S/C7H5ClFNO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
formula: C7H5ClFNO
pubchem: 98564
cas number: 66073-54-9
inchikey: KLOZZZNFJYMTNE-UHFFFAOYSA-N
iupac name: 2-Chloro-6-fluorobenzamide @en
notation: 2Cl6FBenAd
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003098

3-methylbutan-1-ol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000286
in scheme: Conceptschema Chemische Stoffen
inchikey: PHTQWCKDNZKARW-UHFFFAOYSA-N
cas number: 6423-06-9
cas number: 123-51-3
notation: 3C1y1C4ol
iupac name: 3-Methylbutan-1-ol @en
formula: C5H12O
smiles: CC(C)CCO
inchi: InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
pubchem: 31260

peroxyazijnzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 6585
formula: C2H4O3
inchi: InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3
cas number: 89370-71-8
cas number: 79-21-0
broader: CHEMONTID_0002446
inchikey: KFSLWBXXFJQRDL-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: Ethaneperoxoic acid @en
notation: perOxHAc
smiles: CC(=O)OO

2-chloor-4-tert-butylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: PRLINSMUYJWPBL-UHFFFAOYSA-N
inchi: InChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
pubchem: 7380
iupac name: 4-tert-Butyl-2-chlorophenol @en
cas number: 98-28-2
in scheme: Conceptschema Chemische Stoffen
formula: C10H13ClO
broader: CHEMONTID_0002811
smiles: CC(C)(C)C1=CC(=C(C=C1)O)Cl

1,4-dichloorbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 106-46-7
cas number: 73513-56-1
smiles: C1=CC(=CC=C1Cl)Cl
comment: VLAREM II bijlage 4.4.2
iupac name: 1,4-Dichlorobenzene @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564
inchikey: OCJBOOLMMGQPQU-UHFFFAOYSA-N
notation: 14DClBen
inchi: InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
is referenced by: LUC IV 011
formula: C6H4Cl2
pubchem: 4685

einsteinium 254
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 167472
formula: Es
smiles: [Es]
inchi: InChI=1S/Es/i1+2
inchikey: CKBRQZNRCSJHFT-NJFSPNSNSA-N
notation: Es254
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000430
iupac name: einsteinium-254 @en
cas number: 15840-03-6

methylbutylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCCC(=O)OC
iupac name: Methyl butanoate @en
in scheme: Conceptschema Chemische Stoffen
notation: C1yC4yat
cas number: 623-42-7
inchikey: UUIQMZJEGPQKFD-UHFFFAOYSA-N
formula: C5H10O2
broader: CHEMONTID_0003417
pubchem: 12180
inchi: InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3

fosgeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
pubchem: 6371
broader: CHEMONTID_0000550
inchikey: YGYAWVDWMABLBF-UHFFFAOYSA-N
formula: CCl2O
iupac name: Carbonyl dichloride @en
inchi: InChI=1S/CCl2O/c2-1(3)4
in scheme: Conceptschema Chemische Stoffen
smiles: C(=O)(Cl)Cl
cas number: 75-44-5
notation: fosgn

bentazon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: ZOMSMJKLGFBRBS-UHFFFAOYSA-N
cas number: 12705-05-4
cas number: 25057-89-0
cas number: 58856-82-9
cas number: 21723-40-0
notation: bentzn
inchi: InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
broader: CHEMONTID_0002448
pubchem: 2328
smiles: CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O
alternative label: bentazone
formula: C10H12N2O3S
iupac name: 2,2-dioxo-3-propan-2-yl-1H-benzo[d][1,2,6]thiadiazin-4-one @en

dibenzylamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 306991-23-1
cas number: 103-49-1
pubchem: 7656
iupac name: 1-phenyl-N-(phenylmethyl)methanamine @en
notation: DbenzAe
smiles: C1=CC=C(C=C1)CNCC2=CC=CC=C2
inchi: InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
broader: CHEMONTID_0000185
inchikey: BWLUMTFWVZZZND-UHFFFAOYSA-N
formula: C14H15N
in scheme: Conceptschema Chemische Stoffen

(R)-1-fenylethanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
alternative label: (r)-1-fenylethanol
smiles: CC(C1=CC=CC=C1)O
inchi: InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
cas number: 98-85-1
cas number: 1517-69-7
cas number: 13323-81-4
iupac name: 1-Phenylethanol @en
broader: CHEMONTID_0002279
pubchem: 7409
formula: C8H10O
inchikey: WAPNOHKVXSQRPX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: R1FyC2ol

1,4-diaminobenzeen dihydrochloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: IYXMNTLBLQNMLM-UHFFFAOYSA-N
broader: CHEMONTID_0000284
cas number: 624-18-0
formula: C6H10Cl2N2
iupac name: benzene-1,4-diamine dihydrochloride @en
pubchem: 12205
notation: 14DAoBenDHCl
smiles: C1=CC(=CC=C1N)N.Cl.Cl
inchi: InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H
in scheme: Conceptschema Chemische Stoffen

N-methylperfluorbutaansulfonamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide @en
alternative label: n-methylperfluor-n-butaansulfonamide (mepfbsa)
alternative label: n-methylperfluor-n-butaansulfonamide
formula: C5H4F9NO2S
cas number: 68298-12-4
inchi: InChI=1S/C5H4F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3
notation: MePFBSA
notation: NC1yPFC4asfA
broader: CHEMONTID_0001585
in scheme: Conceptschema Chemische Stoffen
pubchem: 109968
inchikey: GFZPUWKGPNHWHD-UHFFFAOYSA-N

coumarin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
smiles: C1=CC=C2C(=C1)C=CC(=O)O2
formula: C9H6O2
pubchem: 323
cas number: 91-64-5
notation: coumrn
broader: CHEMONTID_0000145
iupac name: chromen-2-one @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H

4-aminoazobenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 4-phenyldiazenylaniline @en
cas number: 60-09-3
cas number: 81691-68-1
cas number: 25548-34-9
smiles: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N
pubchem: 6051
broader: CHEMONTID_0003370
inchi: InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2
notation: 4AoazBen
formula: C12H11N3
inchikey: QPQKUYVSJWQSDY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

4-(dimethylbutylamino)-difenylamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: N-(4-methylpentan-2-yl)-N'-phenylbenzene-1,4-diamine @en
cas number: 76600-84-5
cas number: 793-24-8
cas number: 50809-58-0
inchikey: ZZMVLMVFYMGSMY-UHFFFAOYSA-N
smiles: CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
notation: 4DC1yC4yAoDF
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003924
formula: C18H24N2
pubchem: 13101
inchi: InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3

butafenacil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
formula: C20H18ClF3N2O6
pubchem: 11826859
cas number: 134605-64-4
iupac name: (2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate @en
notation: butfncl
inchikey: JEDYYFXHPAIBGR-UHFFFAOYSA-N

caffeine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CN1C=NC2=C1C(=O)N(C(=O)N2C)C
cas number: 95789-13-2
cas number: 58-08-2
cas number: 71701-02-5
pubchem: 2519
in scheme: Conceptschema Chemische Stoffen
notation: caffine
inchi: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
inchikey: RYYVLZVUVIJVGH-UHFFFAOYSA-N
formula: C8H10N4O2
broader: CHEMONTID_0000247
iupac name: 1,3,7-trimethylpurine-2,6-dione @en

N-acetyl-4-aminoantipyrine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 83-15-8
inchi: InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
iupac name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide @en
inchikey: OIAGWXKSCXPNNZ-UHFFFAOYSA-N
formula: C13H15N3O2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002019
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C
pubchem: 65743
notation: Nact4Aoatprn

fluazifop-P
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: fluazfpP
iupac name: (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid @en
formula: C15H12F3NO4
broader: CHEMONTID_0004674
inchi: InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m1/s1
in scheme: Conceptschema Chemische Stoffen
alternative label: fluazifop-p
inchikey: YUVKUEAFAVKILW-SECBINFHSA-N
cas number: 83066-88-0
pubchem: 91733

demefion
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: demfon
broader: CHEMONTID_0003384
inchi: InChI=1S/2C5H13O3PS2/c1-7-9(6,8-2)11-5-4-10-3;1-6-9(10,7-2)8-4-5-11-3/h2*4-5H2,1-3H3
cas number: 8065-62-1
formula: C10H26O6P2S4
smiles: COP(=O)(OC)SCCSC.COP(=S)(OC)OCCSC
inchikey: ZIBCESDMUREVIU-UHFFFAOYSA-N
iupac name: dimethoxy-(2-methylsulfanylethoxy)-sulfanylidenephosphorane; 1-dimethoxyphosphorylsulfanyl-2-methylsulfanylethane @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 115122

2,4-xylidine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C8H11N
pubchem: 7250
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
cas number: 95-68-1
iupac name: 2,4-Dimethylaniline @en
inchikey: CZZZABOKJQXEBO-UHFFFAOYSA-N
broader: CHEMONTID_0004209
smiles: CC1=CC(=C(C=C1)N)C
notation: 24xyldne

chloorpropylaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000369
inchi: InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
notation: ClC3yat
formula: C17H16Cl2O3
iupac name: propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate @en
cas number: 5836-10-2
inchikey: AXGUBXVWZBFQGA-UHFFFAOYSA-N
pubchem: 22094
in scheme: Conceptschema Chemische Stoffen

silafluofen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 92430
inchi: InChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3
notation: silfofn
in scheme: Conceptschema Chemische Stoffen
cas number: 105024-66-6
formula: C25H29FO2Si
broader: CHEMONTID_0004155
inchikey: HPYNBECUCCGGPA-UHFFFAOYSA-N
iupac name: (4-ethoxyphenyl)-[3-[4-fluoro-3-(phenoxy)phenyl]propyl]-dimethylsilane @en

4-chloor-2-methylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C7H7ClO
pubchem: 14855
broader: CHEMONTID_0001274
inchi: InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
in scheme: Conceptschema Chemische Stoffen
inchikey: RHPUJHQBPORFGV-UHFFFAOYSA-N
notation: 4Cl2C1yFol
smiles: CC1=C(C=CC(=C1)Cl)O
cas number: 1570-64-5
iupac name: 4-Chloro-2-methylphenol @en

tributylamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: IMFACGCPASFAPR-UHFFFAOYSA-N
pubchem: 7622
iupac name: N,N-dibutylbutan-1-amine @en
in scheme: Conceptschema Chemische Stoffen
cas number: 102-82-9
cas number: 168153-19-3
formula: C12H27N
broader: CHEMONTID_0002239
smiles: CCCCN(CCCC)CCCC
notation: TC4yAe
inchi: InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3

fluacrypyrim
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: fluacprm
formula: C20H21F3N2O5
broader: CHEMONTID_0004203
pubchem: 9954185
inchi: InChI=1S/C20H21F3N2O5/c1-12(2)30-19-24-16(20(21,22)23)9-17(25-19)29-10-13-7-5-6-8-14(13)15(11-27-3)18(26)28-4/h5-9,11-12H,10H2,1-4H3/b15-11+
iupac name: methyl (E)-3-methoxy-2-[2-[[2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]prop-2-enoate @en
cas number: 229977-93-9
inchikey: MXWAGQASUDSFBG-RVDMUPIBSA-N

methyloctacosanoaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: C1yC28aoat
broader: CHEMONTID_0003417
iupac name: METHYL OCTACOSANOATE @en
formula: C29H58O2
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
in scheme: Conceptschema Chemische Stoffen
pubchem: 41518
cas number: 55682-92-3
inchikey: ZKHOYAKAFALNQD-UHFFFAOYSA-N

isodrin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: (1S,2R,3R,6S,7S,8R)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene @en
formula: C12H8Cl6
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
inchikey: QBYJBZPUGVGKQQ-SEIHLVFNSA-N
cas number: 465-73-6
notation: idn
inchi: InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10-,11+
pubchem: 222548

1,3-dichloorbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
cas number: 63697-17-6
cas number: 541-73-1
notation: 13DClBen
iupac name: 1,3-Dichlorobenzene @en
smiles: C1=CC(=CC(=C1)Cl)Cl
pubchem: 10943
inchi: InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
formula: C6H4Cl2
inchikey: ZPQOPVIELGIULI-UHFFFAOYSA-N

3,4-methyleendioxyamfetamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CC(CC1=CC2=C(C=C1)OCO2)N
formula: C10H13NO2
cas number: 4764-17-4
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3
broader: CHEMONTID_0000296
notation: 34C1yeDoxafA
pubchem: 1614
iupac name: 1-(1,3-benzodioxol-5-yl)propan-2-amine @en
inchikey: NGBBVGZWCFBOGO-UHFFFAOYSA-N

tetramethylammoniumchloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 6379
inchi: InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1
formula: C4H12ClN
cas number: 75-57-0
cas number: 79098-37-6
cas number: 51-92-3
iupac name: tetramethylazanium chloride @en
in scheme: Conceptschema Chemische Stoffen
notation: T4C1yNH4Cl
inchikey: OKIZCWYLBDKLSU-UHFFFAOYSA-M
broader: CHEMONTID_0004225
smiles: C[N+](C)(C)C.[Cl-]

paraoxon-ethyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
formula: C10H14NO6P
broader: CHEMONTID_0000036
inchikey: WYMSBXTXOHUIGT-UHFFFAOYSA-N
smiles: CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
pubchem: 9395
cas number: 311-45-5
notation: paroonC2y
in scheme: Conceptschema Chemische Stoffen
iupac name: diethyl (4-nitrophenyl) phosphate @en

2,2,4-trimethylpentaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
smiles: CC(C)CC(C)(C)C
broader: CHEMONTID_0004620
inchikey: NHTMVDHEPJAVLT-UHFFFAOYSA-N
iupac name: 2,2,4-Trimethylpentane @en
pubchem: 10907
formula: C8H18
cas number: 31921-36-5
cas number: 540-84-1
notation: 224TC1yC5a
in scheme: Conceptschema Chemische Stoffen

oleandomycin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1
in scheme: Conceptschema Chemische Stoffen
inchikey: RZPAKFUAFGMUPI-QESOVKLGSA-N
formula: C35H61NO12
pubchem: 72493
cas number: 3922-90-5
notation: oladmcn
broader: CHEMONTID_0000282
iupac name: (3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione @en

osmium 185
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 167423
inchikey: SYQBFIAQOQZEGI-FTXFMUIASA-N
notation: Os185
formula: Os
iupac name: osmium-185 @en
cas number: 15766-50-4
smiles: [Os]
broader: CHEMONTID_0000426
inchi: InChI=1S/Os/i1-5

codlemon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 1787910
broader: CHEMONTID_0001334
inchikey: CSWBSLXBXRFNST-MQQKCMAXSA-N
smiles: CC=CC=CCCCCCCCO
in scheme: Conceptschema Chemische Stoffen
formula: C12H22O
cas number: 76600-88-9
cas number: 33956-49-9
inchi: InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+
notation: codlmn
iupac name: ['(8E,10E)-dodeca-8,10-dien-1-ol', 'dodeca-8,10-dien-1-ol'] @en

meprobamaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: NPPQSCRMBWNHMW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
cas number: 57-53-4
notation: mepbmt
iupac name: [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate @en
formula: C9H18N2O4
pubchem: 4064
broader: CHEMONTID_0001162
smiles: CCCC(C)(COC(=O)N)COC(=O)N

tetramethrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3/t14-,15+/m1/s1
cas number: 52556-74-8
cas number: 7696-12-0
cas number: 5284-41-3
cas number: 28643-67-6
cas number: 1166-46-7
notation: T4mtn
inchikey: CXBMCYHAMVGWJQ-CABCVRRESA-N
formula: C19H25NO4
pubchem: 24365
iupac name: (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001820

1-hexanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: 1C6Ol
pubchem: 8103
cas number: 220713-27-9
cas number: 111-27-3
cas number: 25917-35-5
inchikey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N
formula: C6H14O
iupac name: HEXAN-1-OL @en
broader: CHEMONTID_0001334
smiles: CCCCCCO
inchi: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

2-methyl-3-butyn-2-ol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 2C1y3C4yn2ol
inchi: InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3
iupac name: 2-Methylbut-3-yn-2-ol @en
cas number: 115-19-5
cas number: 140705-79-9
cas number: 67539-62-2
smiles: CC(C)(C#C)O
in scheme: Conceptschema Chemische Stoffen
inchikey: CEBKHWWANWSNTI-UHFFFAOYSA-N
pubchem: 8258
formula: C5H8O
broader: CHEMONTID_0001373

esfenvaleraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m0/s1
smiles: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
in scheme: Conceptschema Chemische Stoffen
formula: C25H22ClNO3
inchikey: NYPJDWWKZLNGGM-BJKOFHAPSA-N
cas number: 67890-40-8
cas number: 66230-04-4
cas number: 72650-28-3
iupac name: [(R)-cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate @en
pubchem: 5361514
broader: CHEMONTID_0001461
notation: esfvlrt

chloordaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 53637-13-1
cas number: 5103-71-9
cas number: 17436-70-3
cas number: 33442-85-2
cas number: 39400-80-1
cas number: 52917-96-1
cas number: 5103-74-2
cas number: 28181-89-7
cas number: 67672-92-8
cas number: 26703-86-6
cas number: 52002-35-4
cas number: 57-74-9
cas number: 12789-03-6
cas number: 28140-46-7
cas number: 22212-52-8
alternative label: cis-chloordaan
alternative label: cis-chloordaan trans-chloordaan
alternative label: trans-chloordaan
iupac name: 1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene @en
inchikey: BIWJNBZANLAXMG-UHFFFAOYSA-N
broader: CHEMONTID_0002863
pubchem: 5993
notation: cCldn
notation: Cldn
notation: tCldn
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2
formula: C10H6Cl8

benzocaine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CCOC(=O)C1=CC=C(C=C1)N
notation: benzcine
pubchem: 2337
cas number: 71123-91-6
cas number: 94-09-7
broader: CHEMONTID_0001350
iupac name: Ethyl 4-aminobenzoate @en
inchikey: BLFLLBZGZJTVJG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C9H11NO2
inchi: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3

dotriacontaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: DOTRIACONTANE @en
formula: C32H66
notation: C32a
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
cas number: 544-85-4
inchikey: QHMGJGNTMQDRQA-UHFFFAOYSA-N
pubchem: 11008

fenobarbital
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: fenbbtl
smiles: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
iupac name: 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione @en
formula: C12H12N2O3
inchi: InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
in scheme: Conceptschema Chemische Stoffen
pubchem: 4763
cas number: 50-06-6
cas number: 46755-67-3
cas number: 11097-06-6
inchikey: DDBREPKUVSBGFI-UHFFFAOYSA-N
broader: CHEMONTID_0000292

tetraconazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: T4cnzl
formula: C13H11Cl2F4N3O
iupac name: 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole @en
inchikey: LQDARGUHUSPFNL-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564
cas number: 112281-77-3
pubchem: 80277

morfoline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000392
cas number: 147366-31-2
cas number: 99108-56-2
cas number: 61791-40-0
cas number: 110-91-8
cas number: 88542-81-8
cas number: 96122-95-1
smiles: C1COCCN1
in scheme: Conceptschema Chemische Stoffen
formula: C4H9NO
pubchem: 8083
notation: morflne
iupac name: Morpholine @en
inchi: InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
inchikey: YNAVUWVOSKDBBP-UHFFFAOYSA-N

cumafos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 2871
inchikey: BXNANOICGRISHX-UHFFFAOYSA-N
formula: C14H16ClO5PS
cas number: 56-72-4
broader: CHEMONTID_0000145
notation: cumfs
iupac name: 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one @en

sotalol, waterstofchloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H
cas number: 959-24-0
broader: CHEMONTID_0000038
in scheme: Conceptschema Chemische Stoffen
iupac name: N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride @en
pubchem: 66245
formula: C12H21ClN2O3S
smiles: CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl
inchikey: VIDRYROWYFWGSY-UHFFFAOYSA-N

safrol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C10H10O2
broader: CHEMONTID_0000296
cas number: 94-59-7
cas number: 1406-55-9
cas number: 8022-92-2
notation: safl
smiles: C=CCC1=CC2=C(C=C1)OCO2
in scheme: Conceptschema Chemische Stoffen
inchikey: ZMQAAUBTXCXRIC-UHFFFAOYSA-N
inchi: InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
pubchem: 5144
iupac name: 5-prop-2-enyl-1,3-benzodioxole @en

1,2,3,4,7,8-hexachloordibenzofuraan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 70648-26-9
pubchem: 51130
inchi: InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H
comment: VLAR II+ bijlagen
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
alternative label: 1,2,3,4,7,8-hexachloordibenzofuran
alternative label: 1,2,3,4,7,8-hexachloordibenzofuraan (hxcdf)
inchikey: LVYBAQIVPKCOEE-UHFFFAOYSA-N
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,4,7,8-HEXACHLORODIBENZOFURAN @en
is referenced by: LUC VI 002
notation: PCDF118
formula: C12H2Cl6O

4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-on
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C(CCC1)(C)C)C=CC(=O)C
inchikey: PSQYTAPXSHCGMF-BQYQJAHWSA-N
formula: C13H20O
cas number: 14901-07-6
cas number: 79-77-6
cas number: 35031-06-2
notation: 4266TC1y1ccC
iupac name: ['4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one', '(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one'] @en
inchi: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
broader: CHEMONTID_0001550
pubchem: 638014

t-butylacetaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: WMOVHXAZOJBABW-UHFFFAOYSA-N
pubchem: 10908
notation: ttC4yactt
alternative label: tertiair-butylacetaat
cas number: 540-88-5
iupac name: tert-Butyl acetate @en
smiles: CC(=O)OC(C)(C)C
in scheme: Conceptschema Chemische Stoffen
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
is referenced by: LUC IV 004
is referenced by: LUC IV 012
broader: CHEMONTID_0001238

2,3,3'-trichloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=CC(=C1)Cl)C2=C(C(=CC=C2)Cl)Cl
broader: CHEMONTID_0003030
inchi: InChI=1S/C12H7Cl3/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15/h1-7H
formula: C12H7Cl3
iupac name: 1,2-dichloro-3-(3-chlorophenyl)benzene @en
inchikey: SXHLTVKPNQVZGL-UHFFFAOYSA-N
cas number: 38444-84-7
notation: PCB20
pubchem: 38034

hexachloorcyclohexaan, alle isomeren
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 1,2,3,4,5,6-Hexachlorocyclohexane @en
inchikey: JLYXXMFPNIAWKQ-UHFFFAOYSA-N
notation: HCH
cas number: 60291-32-9
cas number: 6108-11-8
cas number: 20437-97-2
cas number: 608-73-1
cas number: 89609-19-8
cas number: 6108-13-0
cas number: 39284-22-5
cas number: 6108-12-9
inchi: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004485
smiles: C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
formula: C6H6Cl6
alternative label: lindaan
alternative label: som hexachloorcyclohexaan-isomeren
pubchem: 727

dichloorprop
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 8427
alternative label: dichlorprop
alternative label: 2,4-dichloorfenoxypropionzuur
inchi: InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
inchikey: MZHCENGPTKEIGP-UHFFFAOYSA-N
broader: CHEMONTID_0004676
smiles: CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-(2,4-Dichlorophenoxy)propanoic acid @en
notation: 24DP
formula: C9H8Cl2O3
cas number: 120-36-5
cas number: 7547-66-2

chloorxylenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: OSDLLIBGSJNGJE-UHFFFAOYSA-N
notation: clxlnl
pubchem: 2723
alternative label: 4-chloor-3,5-dimethylfenol
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
iupac name: 4-Chloro-3,5-dimethylphenol @en
formula: C8H9ClO
smiles: CC1=CC(=CC(=C1Cl)C)O
cas number: 88-04-0
broader: CHEMONTID_0001273

genistein
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000494
iupac name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one @en
inchi: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
inchikey: TZBJGXHYKVUXJN-UHFFFAOYSA-N
pubchem: 5280961
notation: gensn
formula: C15H10O5
cas number: 446-72-0
in scheme: Conceptschema Chemische Stoffen

2-isopropylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: 2iC3yFol
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-propan-2-ylphenol @en
smiles: CC(C)C1=CC=CC=C1O
inchi: InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
inchikey: CRBJBYGJVIBWIY-UHFFFAOYSA-N
broader: CHEMONTID_0000355
cas number: 88-69-7
cas number: 25168-06-3
pubchem: 6943
formula: C9H12O

paraquat-dichloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 136338-65-3
cas number: 57593-74-5
cas number: 65982-50-5
cas number: 1910-42-5
cas number: 247050-57-3
cas number: 3765-78-4
cas number: 205105-68-6
pubchem: 15938
broader: CHEMONTID_0000326
inchi: InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2
formula: C12H14Cl2N2
notation: pqtDCl
iupac name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride @en
in scheme: Conceptschema Chemische Stoffen
smiles: C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-]
inchikey: FIKAKWIAUPDISJ-UHFFFAOYSA-L

3-chloor-1,1,1-trifluorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 673-93-8
cas number: 460-35-5
inchi: InChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2
smiles: C(CCl)C(F)(F)F
broader: CHEMONTID_0001517
inchikey: ZPIFKCVYZBVZIV-UHFFFAOYSA-N
pubchem: 10000
iupac name: ['3-Chloro-1,1,1-trifluoropropane', '1-chloro-3,3,3-trifluoroprop-1-yne'] @en
formula: C3H4ClF3
notation: HCFK253fb
in scheme: Conceptschema Chemische Stoffen

tantalum 182
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: tantalum-182 @en
smiles: [Ta]
inchi: InChI=1S/Ta/i1+1
pubchem: 161013
inchikey: GUVRBAGPIYLISA-OUBTZVSYSA-N
notation: Ta182
formula: Ta
broader: CHEMONTID_0000426
cas number: 13982-00-8
in scheme: Conceptschema Chemische Stoffen

4-chloor-2,6-dinitroaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 4-Chloro-2,6-dinitroaniline @en
cas number: 5388-62-5
inchi: InChI=1S/C6H4ClN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2
broader: CHEMONTID_0003968
inchikey: CLMQUEQFVUMDPC-UHFFFAOYSA-N
smiles: C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])Cl
pubchem: 21484
in scheme: Conceptschema Chemische Stoffen
formula: C6H4ClN3O4
notation: 4Cl26DNO2An

dodecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 93924-07-3
cas number: 112-40-3
cas number: 129813-67-8
formula: C12H26
smiles: CCCCCCCCCCCC
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
pubchem: 8182
notation: C12a
iupac name: Dodecane @en
inchikey: SNRUBQQJIBEYMU-UHFFFAOYSA-N
inchi: InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

octachloornaftaleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 1,2,3,4,5,6,7,8-Octachloronaphthalene @en
formula: C10Cl8
notation: OcClNaf
pubchem: 16692
in scheme: Conceptschema Chemische Stoffen
cas number: 2234-13-1
broader: CHEMONTID_0004794
inchikey: RTNLUFLDZOAXIC-UHFFFAOYSA-N

n-nitrosomorfoline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C1COCCN1N=O
iupac name: 4-Nitrosomorpholine @en
inchi: InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2
inchikey: ZKXDGKXYMTYWTB-UHFFFAOYSA-N
alternative label: N-nitrosomorfoline
cas number: 67587-56-8
cas number: 59-89-2
pubchem: 6046
formula: C4H8N2O2
notation: NNO2smflne
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000392

methoxychloor
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 4115
notation: C1oxCl
cas number: 72-43-5
inchi: InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3
inchikey: IAKOZHOLGAGEJT-UHFFFAOYSA-N
alternative label: p,p’-methoxychlor
formula: C16H15Cl3O2
broader: CHEMONTID_0000369

ertapenem
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: JUZNIMUFDBIJCM-ANEDZVCMSA-N
pubchem: 150610
cas number: 153832-46-3
in scheme: Conceptschema Chemische Stoffen
notation: ertpnm
broader: CHEMONTID_0002362
iupac name: (4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid @en
formula: C22H25N3O7S

acetylhexamethyltetrahydronaftaleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone @en
notation: AHTN
notation: ATHN
alternative label: tonalide
inchi: InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
cas number: 131433-13-1
cas number: 21145-77-7
cas number: 1506-02-1
inchikey: DNRJTBAOUJJKDY-UHFFFAOYSA-N
formula: C18H26O
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000048
pubchem: 89440

waterstofchloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR III (D3, diverse art) 'HCl'
comment: VLAR II bijl. 2.5.1 'chloorwaterstof'
comment: VLAR III (D3) 'waterstofchloride (HCl)'
comment: VLAR II (D5, diverse art) 'HCl'
is referenced by: LUC III 001
cas number: 7647-01-0
cas number: 113962-65-5
cas number: 51005-19-7
cas number: 61674-62-2
cas number: 218625-68-4
inchi: InChI=1S/ClH/h1H
smiles: Cl
notation: HCl
inchikey: VEXZGXHMUGYJMC-UHFFFAOYSA-N
iupac name: ['hydrogen chloride', 'hydron chloride'] @en
formula: ClH
in scheme: Conceptschema Chemische Stoffen
pubchem: 313
alternative label: zoutzuur
broader: CHEMONTID_0000548

aluminiumsulfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: GRLPQNLYRHEGIJ-UHFFFAOYSA-J
inchi: InChI=1S/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4
cas number: 10043-01-3
cas number: 131315-49-6
cas number: 10043-67-1
smiles: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+]
pubchem: 24856
formula: AlKO8S2
notation: AlSO4
in scheme: Conceptschema Chemische Stoffen
iupac name: Aluminum potassium disulfate @en

1,2,3,4,6,7,8,9-octachloordibenzo-p-dioxine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
alternative label: octachloordibenzo-para-dioxine
alternative label: octachloordibenzodioxine
alternative label: octachloordibenzodioxine (ocdd)
is referenced by: LUC VI 002
formula: C12Cl8O2
iupac name: 1,2,3,4,6,7,8,9-octachlorooxanthrene @en
cas number: 3268-87-9
comment: VLAR II+ bijlagen
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
inchi: InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10
pubchem: 18636
broader: CHEMONTID_0000420
notation: PCDD75
inchikey: FOIBFBMSLDGNHL-UHFFFAOYSA-N

carbazol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: carbzl
pubchem: 6854
formula: C12H9N
iupac name: 9H-Carbazole @en
smiles: C1=CC=C2C(=C1)C3=CC=CC=C3N2
inchi: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
in scheme: Conceptschema Chemische Stoffen
inchikey: UJOBWOGCFQCDNV-UHFFFAOYSA-N
cas number: 86-74-8
broader: CHEMONTID_0000210

pirimicarb-desmethyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: pirmcdC1y
formula: C10H16N4O2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001262
iupac name: (5,6-dimethyl-2-methylaminopyrimidin-4-yl) N,N-dimethylcarbamate @en
inchikey: GTKRZJVAXAQBMB-UHFFFAOYSA-N
smiles: CC1=C(N=C(N=C1OC(=O)N(C)C)NC)C
pubchem: 93139
inchi: InChI=1S/C10H16N4O2/c1-6-7(2)12-9(11-3)13-8(6)16-10(15)14(4)5/h1-5H3,(H,11,12,13)
cas number: 30614-22-3

chlozolinaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 84332-86-5
cas number: 72391-46-9
broader: CHEMONTID_0002564
pubchem: 51574
inchi: InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3
notation: chlozlnt
in scheme: Conceptschema Chemische Stoffen
iupac name: ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate @en
inchikey: IGUYEXXAGBDLLX-UHFFFAOYSA-N
formula: C13H11Cl2NO5

bromuconazool
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: HJJVPARKXDDIQD-UHFFFAOYSA-N
iupac name: 1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole @en
pubchem: 3444
broader: CHEMONTID_0002564
notation: bromcnzl
formula: C13H12BrCl2N3O
cas number: 116255-48-2

undecylbenzoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 229159
iupac name: Undecyl benzoate @en
notation: C11ybzat
broader: CHEMONTID_0001350
formula: C18H28O2
smiles: CCCCCCCCCCCOC(=O)C1=CC=CC=C1
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-20-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3
in scheme: Conceptschema Chemische Stoffen
inchikey: YEHGKFOTJWYCBN-UHFFFAOYSA-N
cas number: 6316-30-9

mesosulfuron-methyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C17H21N5O9S2
cas number: 208465-21-8
in scheme: Conceptschema Chemische Stoffen
inchikey: NIFKBBMCXCMCAO-UHFFFAOYSA-N
broader: CHEMONTID_0004705
inchi: InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)
pubchem: 11409499
notation: messfrnC1y
iupac name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate @en

4-methylquinazoline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C9H8N2
pubchem: 241520
broader: CHEMONTID_0000485
cas number: 700-46-9
notation: 4C1yqnzlne
smiles: CC1=NC=NC2=CC=CC=C12
iupac name: 4-Methylquinazoline @en
inchi: InChI=1S/C9H8N2/c1-7-8-4-2-3-5-9(8)11-6-10-7/h2-6H,1H3
in scheme: Conceptschema Chemische Stoffen
inchikey: JWEOEZZCZCCPJL-UHFFFAOYSA-N

isoprocarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: (2-propan-2-ylphenyl) N-methylcarbamate @en
notation: ipcb
pubchem: 17517
cas number: 2631-40-5
in scheme: Conceptschema Chemische Stoffen
inchikey: QBSJMKIUCUGGNG-UHFFFAOYSA-N
formula: C11H15NO2
smiles: CC(C)C1=CC=CC=C1OC(=O)NC
broader: CHEMONTID_0000355
inchi: InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)

cyclamaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: cycmt
iupac name: Cyclohexylsulfamic acid @en
broader: CHEMONTID_0000365
in scheme: Conceptschema Chemische Stoffen
smiles: C1CCC(CC1)NS(=O)(=O)O
formula: C6H13NO3S
cas number: 45951-45-9
cas number: 100-88-9
inchikey: HCAJEUSONLESMK-UHFFFAOYSA-N
inchi: InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)
pubchem: 7533

2,3,4,6-tetrachlooraniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000284
formula: C6H3Cl4N
notation: 2346T4ClAn
iupac name: 2,3,4,6-Tetrachloroaniline @en
inchi: InChI=1S/C6H3Cl4N/c7-2-1-3(8)6(11)5(10)4(2)9/h1H,11H2
inchikey: LXCLPHJRGDTDDB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 654-36-4
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)N)Cl
pubchem: 3013925

mangaan 54
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000426
inchikey: PWHULOQIROXLJO-BJUDXGSMSA-N
inchi: InChI=1S/Mn/i1-1
smiles: [Mn]
formula: Mn
iupac name: manganese-54 @en
cas number: 13966-31-9
notation: Mn54
pubchem: 104743

thorium 227
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: ZSLUVFAKFWKJRC-FTXFMUIASA-N
smiles: [Th]
pubchem: 61806
broader: CHEMONTID_0000430
iupac name: thorium-227 @en
inchi: InChI=1S/Th/i1-5
in scheme: Conceptschema Chemische Stoffen
notation: Th227
cas number: 15623-47-9
formula: Th

cis-5-butyldihydro-4-methyl-2(3H)furanon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: c5C4yH4C1y23
inchikey: WNVCMFHPRIBNCW-HTQZYQBOSA-N
smiles: CCCCC1C(CC(=O)O1)C
inchi: InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
in scheme: Conceptschema Chemische Stoffen
alternative label: cis-5-butyldihydro-4-methyl-2(3h)furanon
pubchem: 41285
iupac name: (4R,5R)-5-butyl-4-methyloxolan-2-one @en
cas number: 55013-32-6
broader: CHEMONTID_0001245
formula: C9H16O2

1-methyldodecylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 20636
inchi: InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3
inchikey: FCXPVFLEDIQLLO-UHFFFAOYSA-N
smiles: CCCCCCCCCCCC(C)C1=CC=CC=C1
notation: 1C1yC12yBen
cas number: 4534-53-6
iupac name: tridecan-2-ylbenzene @en
broader: CHEMONTID_0002279
formula: C19H32

neodecaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: PKJSRUTWBDIWAR-UHFFFAOYSA-N
formula: C10H20O2
inchi: InChI=1S/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)
in scheme: Conceptschema Chemische Stoffen
pubchem: 62817
broader: CHEMONTID_0003086
smiles: CCC(C)(CCC(C)C)C(=O)O
notation: neoC10azr
cas number: 26896-20-8
iupac name: 2-ethyl-2,5-dimethylhexanoic acid @en

ethyleenimine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 9077-52-5
cas number: 66456-64-2
cas number: 99932-76-0
cas number: 96956-22-8
cas number: 96956-23-9
cas number: 145379-92-6
cas number: 151-56-4
cas number: 39289-19-5
cas number: 69522-69-6
cas number: 81210-09-5
cas number: 81210-07-3
cas number: 92047-44-4
cas number: 68130-98-3
cas number: 9002-98-6
cas number: 81210-08-4
cas number: 68130-99-4
cas number: 96956-24-0
iupac name: Aziridine @en
inchi: InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2
in scheme: Conceptschema Chemische Stoffen
smiles: C1CN1
pubchem: 9033
comment: VLAREM II bijlage 4.4.2
formula: C2H5N
inchikey: NOWKCMXCCJGMRR-UHFFFAOYSA-N
notation: C2yeimne
broader: CHEMONTID_0000103

azinfos-methyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 2268
cas number: 54182-73-9
cas number: 86-50-0
notation: C1yazfs
alternative label: methylazinfos
formula: C10H12N3O3PS2
inchikey: CJJOSEISRRTUQB-UHFFFAOYSA-N
smiles: COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1
broader: CHEMONTID_0004660
in scheme: Conceptschema Chemische Stoffen

diethyleendiamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: DC2yeDAe
iupac name: Piperazine @en
pubchem: 4837
inchi: InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
cas number: 8057-14-5
cas number: 81546-15-8
cas number: 8027-81-4
cas number: 110-85-0
cas number: 8017-90-1
formula: C4H10N2
broader: CHEMONTID_0000189
smiles: C1CNCCN1
in scheme: Conceptschema Chemische Stoffen
inchikey: GLUUGHFHXGJENI-UHFFFAOYSA-N

C9-rijk di-C8-10-vertakt alkylftalaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001350
iupac name: bis(7-methyloctyl) benzene-1,2-dicarboxylate @en
pubchem: 590836
alternative label: di-isononylftalaat (mix van isomeren)
alternative label: diisononylftalaat
notation: C9D810akFt
notation: DiC9yFt
inchikey: HBGGXOJOCNVPFY-UHFFFAOYSA-N
inchi: InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
cas number: 28553-12-0
cas number: 68515-48-0
in scheme: Conceptschema Chemische Stoffen
formula: C26H42O4

2-ethylhexaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 56006-48-5
cas number: 61788-37-2
cas number: 149-57-5
cas number: 202054-39-5
cas number: 83829-68-9
formula: C8H16O2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
broader: CHEMONTID_0003086
smiles: CCCCC(CC)C(=O)O
iupac name: 2-Ethylhexanoic acid @en
notation: 2C2yC6azr
pubchem: 8697
inchikey: OBETXYAYXDNJHR-UHFFFAOYSA-N

boscalid
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: 2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide @en
cas number: 188425-85-6
formula: C18H12Cl2N2O
notation: boscld
broader: CHEMONTID_0004712
inchikey: WYEMLYFITZORAB-UHFFFAOYSA-N
pubchem: 213013
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)

triclopyr-butoxyethylester
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003971
notation: TcpC4OxC2yEs
smiles: CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl
formula: C13H16Cl3NO4
inchikey: IVDRCZNHVGQBHZ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate @en
inchi: InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3
cas number: 64700-56-7
cas number: 64470-88-8
pubchem: 47455

2,4,6-trichlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: NATVSFWWYVJTAZ-UHFFFAOYSA-N
broader: CHEMONTID_0000284
iupac name: 2,4,6-Trichloroaniline @en
smiles: C1=C(C=C(C(=C1Cl)N)Cl)Cl
pubchem: 12471
inchi: InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
in scheme: Conceptschema Chemische Stoffen
notation: 246TClAn
formula: C6H4Cl3N
cas number: 634-93-5

bis(2-ethylhexyl)tereftalaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: DEHTP
in scheme: Conceptschema Chemische Stoffen
pubchem: 22932
inchi: InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
inchikey: RWPICVVBGZBXNA-UHFFFAOYSA-N
iupac name: bis(2-ethylhexyl) benzene-1,4-dicarboxylate @en
cas number: 6422-86-2
cas number: 144981-82-8
broader: CHEMONTID_0004012
formula: C24H38O4

ronidazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 5094
cas number: 7681-76-7
formula: C6H8N4O4
in scheme: Conceptschema Chemische Stoffen
iupac name: (1-Methyl-5-nitroimidazol-2-yl)methyl carbamate @en
notation: rondzl
inchi: InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)
broader: CHEMONTID_0000242
inchikey: PQFRTXSWDXZRRS-UHFFFAOYSA-N
smiles: CN1C(=CN=C1COC(=O)N)[N+](=O)[O-]

etoxazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3
notation: etxzl
cas number: 153233-91-1
inchikey: IXSZQYVWNJNRAL-UHFFFAOYSA-N
pubchem: 153974
broader: CHEMONTID_0002811
iupac name: 4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole @en
formula: C21H23F2NO2

oxadixyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: UWVQIROCRJWDKL-UHFFFAOYSA-N
cas number: 77732-09-3
smiles: CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O
notation: OaDxl
pubchem: 53735
inchi: InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3
formula: C14H18N2O4
iupac name: N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000285

wolfraam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7440-33-7
cas number: 37374-90-6
cas number: 22541-98-6
iupac name: Tungsten @en
broader: CHEMONTID_0000426
smiles: [W]
in scheme: Conceptschema Chemische Stoffen
pubchem: 23964
inchikey: WFKWXMTUELFFGS-UHFFFAOYSA-N
inchi: InChI=1S/W
formula: W
notation: W

trichostatin A
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: RTKIYFITIVXBLE-WKWSCTOISA-N
inchi: InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+
pubchem: 6376322
formula: C17H22N2O3
iupac name: ['7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide', '(2E,4E)-7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide'] @en
cas number: 58880-19-6
notation: TcstnA
alternative label: trichostatin a
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen

2-methoxy-1-propanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 1589-47-5
cas number: 148616-44-8
cas number: 28677-93-2
inchikey: YTTFFPATQICAQN-UHFFFAOYSA-N
notation: 2C1ox1C3ol
formula: C4H10O2
inchi: InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3
iupac name: 2-methoxypropan-1-ol @en
smiles: CC(CO)OC
pubchem: 14846
broader: CHEMONTID_0001167

4-broomfenylfenylether
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C12H9BrO
cas number: 101-55-3
iupac name: 1-bromo-4-(phenoxy)benzene @en
broader: CHEMONTID_0001845
pubchem: 7565
inchi: InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
in scheme: Conceptschema Chemische Stoffen
notation: 4BrFyFyEtr
smiles: C1=CC=C(C=C1)OC2=CC=C(C=C2)Br
inchikey: JDUYPUMQALQRCN-UHFFFAOYSA-N

dimethylchloorthiofosfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C2H6ClO2PS
inchi: InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3
cas number: 2524-03-0
pubchem: 17304
smiles: COP(=S)(OC)Cl
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001572
iupac name: chloro-dimethoxy-sulfanylidenephosphorane @en
inchikey: XFBJRFNXPUCPKU-UHFFFAOYSA-N
notation: DC1yCltoPO4

pcb 180
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 35065-29-3
alternative label: PCB-180
alternative label: 2,2',3,4,4',5,5'-heptachloorbifenyl
alternative label: 2,2',3,4,4',5,5'-heptachloorbifenyl (pcb180)
alternative label: pcb-180
is referenced by: LUC VI 002
is referenced by: CMA 3 I
broader: CHEMONTID_0003030
formula: C12H3Cl7
pubchem: 37036
inchi: InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H
iupac name: 1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene @en
in scheme: Conceptschema Chemische Stoffen
notation: PCB180
inchikey: WBHQEUPUMONIKF-UHFFFAOYSA-N

allopurinol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 2094
inchi: InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
in scheme: Conceptschema Chemische Stoffen
cas number: 184856-42-6
cas number: 315-30-0
cas number: 39464-14-7
cas number: 22767-92-6
smiles: C1=C2C(=NC=NC2=O)NN1
notation: allprnl
inchikey: OFCNXPDARWKPPY-UHFFFAOYSA-N
iupac name: 1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one @en
broader: CHEMONTID_0004387
formula: C5H4N4O

n-butylmetacrylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 55126-77-7
cas number: 37226-35-0
cas number: 122526-41-4
cas number: 97-88-1
cas number: 51568-49-1
cas number: 180254-70-0
cas number: 9003-63-8
cas number: 62169-30-6
cas number: 106152-15-2
cas number: 55922-77-5
cas number: 53801-42-6
cas number: 79331-93-4
cas number: 102135-84-2
cas number: 159172-35-7
cas number: 9011-15-8
cas number: 66828-11-3
in scheme: Conceptschema Chemische Stoffen
iupac name: butyl 2-methylprop-2-enoate @en
inchi: InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3
formula: C8H14O2
pubchem: 7354
notation: C4ymtclt
smiles: CCCCOC(=O)C(=C)C
alternative label: butylmethacrylaat
broader: CHEMONTID_0003626
inchikey: SOGAXMICEFXMKE-UHFFFAOYSA-N

fenoxycarb
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 79127-80-3
cas number: 72490-01-8
inchikey: HJUFTIJOISQSKQ-UHFFFAOYSA-N
notation: fenOxcb
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004155
smiles: CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2
pubchem: 51605
formula: C17H19NO4
inchi: InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)
iupac name: ethyl N-[2-[4-(phenoxy)phenoxy]ethyl]carbamate @en

kwik 203
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/Hg/i1+2
pubchem: 104771
iupac name: mercury-203 @en
in scheme: Conceptschema Chemische Stoffen
smiles: [Hg]
broader: CHEMONTID_0000426
formula: Hg
inchikey: QSHDDOUJBYECFT-NJFSPNSNSA-N
notation: Hg203
cas number: 13982-78-0

4-chloor-3-methylaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7149-75-9
broader: CHEMONTID_0003964
iupac name: 4-Chloro-3-methylaniline @en
formula: C7H8ClN
pubchem: 23536
inchi: InChI=1S/C7H8ClN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
notation: 4Cl3C1yAn
smiles: CC1=C(C=CC(=C1)N)Cl
inchikey: HIHCTGNZNHSZPP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

17-alfa-ethinylestradiol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003570
iupac name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol @en
smiles: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
formula: C20H24O2
cas number: 57-63-6
cas number: 77538-56-8
inchi: InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
inchikey: BFPYWIDHMRZLRN-SLHNCBLASA-N
notation: etnetDol
pubchem: 5991
alternative label: ethinylestradiol

benalaxyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 71626-11-4
broader: CHEMONTID_0000394
pubchem: 51369
notation: benlxl
inchikey: CJPQIRJHIZUAQP-UHFFFAOYSA-N
iupac name: methyl 2-[(2,6-dimethylphenyl)-(2-phenylacetyl)amino]propanoate @en
formula: C20H23NO3
inchi: InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3
in scheme: Conceptschema Chemische Stoffen

lysergide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 50-37-3
notation: LSD
formula: C20H25N3O
inchikey: VAYOSLLFUXYJDT-RDTXWAMCSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002680
inchi: InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
iupac name: (6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide @en
pubchem: 5761

fosfolan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: fosfln
iupac name: N-diethoxyphosphoryl-1,3-dithiolan-2-imine @en
pubchem: 13689
inchi: InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3
formula: C7H14NO3PS2
cas number: 99910-17-5
cas number: 947-02-4
broader: CHEMONTID_0000408
inchikey: ILBONRFSLATCRE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CCOP(=O)(N=C1SCCS1)OCC

kalium N-methyldithiocarbamaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: potassium methylaminomethanedithioate @en
pubchem: 8725
notation: KNC1yDtocbmt
inchi: InChI=1S/C2H5NS2.K/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1
formula: C2H4KNS2
alternative label: kalium n-methyldithiocarbamaat
inchikey: DQRQIQZHRCRSDB-UHFFFAOYSA-M
broader: CHEMONTID_0004099
smiles: CN=C(S)[S-].[K+]
cas number: 137-41-7

diethatylethyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: WFKSADNZWSKCRZ-UHFFFAOYSA-N
iupac name: ethyl 2-[(2-chloroacetyl)-(2,6-diethylphenyl)amino]acetate @en
notation: DettC2y
cas number: 38727-55-8
cas number: 51142-20-2
cas number: 52002-01-4
cas number: 62180-86-3
broader: CHEMONTID_0000394
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3
pubchem: 38090
smiles: CCC1=C(C(=CC=C1)CC)N(CC(=O)OCC)C(=O)CCl
formula: C16H22ClNO3

7H-dibenzo(c,g)carbazol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 7HDbzcgcbzl
pubchem: 9134
iupac name: 12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene @en
broader: CHEMONTID_0000210
cas number: 194-59-2
cas number: 28641-62-5
alternative label: 7h-dibenzo(c,g)carbazol
formula: C20H13N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H
inchikey: STJXCDGCXVZHDU-UHFFFAOYSA-N

chloorpyrifos-ethyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 12768-48-8
cas number: 39475-55-3
cas number: 2921-88-2
inchikey: SBPBAQFWLVIOKP-UHFFFAOYSA-N
notation: C2yClprfs
alternative label: ethylchloorpyrifos
alternative label: chloorpyrifos
alternative label: chlorpyrifos
pubchem: 2730
broader: CHEMONTID_0004623
iupac name: diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane @en
formula: C9H11Cl3NO3PS
smiles: CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen

acetamiprid
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide @en
cas number: 160430-64-8
cas number: 135410-20-7
formula: C10H11ClN4
inchikey: WCXDHFDTOYPNIE-UHFFFAOYSA-N
broader: CHEMONTID_0004532
pubchem: 213021
notation: actmpd
smiles: CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3

alfa-cypermethrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001461
formula: C22H19Cl2NO3
notation: acpmtn
pubchem: 49833
in scheme: Conceptschema Chemische Stoffen
cas number: 67375-30-8
cas number: 70982-02-4
smiles: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
inchi: InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18?,20-/m0/s1
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
inchikey: KAATUXNTWXVJKI-DXCJPMOASA-N

natriumsilicaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: H10Na2O8Si
inchi: InChI=1S/2Na.O3Si.5H2O/c;;1-4(2)3;;;;;/h;;;5*1H2/q2*+1;-2;;;;;
pubchem: 61495
iupac name: disodium dioxido-oxosilane pentahydrate @en
cas number: 12001-15-9
cas number: 10213-79-3
cas number: 1344-09-8
notation: NaSiO2
in scheme: Conceptschema Chemische Stoffen
inchikey: ADPGKKZKGXANON-UHFFFAOYSA-N
smiles: O.O.O.O.O.[O-][Si](=O)[O-].[Na+].[Na+]
broader: CHEMONTID_0000901

isobutylamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: iC4yAe
inchikey: KDSNLYIMUZNERS-UHFFFAOYSA-N
formula: C4H11N
broader: CHEMONTID_0000469
iupac name: 2-methylpropan-1-amine @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)CN
pubchem: 6558
cas number: 78-81-9
inchi: InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3

captafol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2425-06-1
cas number: 2939-80-2
cas number: 61913-12-0
cas number: 30017-05-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001820
iupac name: 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione @en
notation: captfl
inchikey: JHRWWRDRBPCWTF-UHFFFAOYSA-N
formula: C10H9Cl4NO2S
inchi: InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2
smiles: C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl
pubchem: 17038

perfluor-n-tetradecaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 376-06-7
alternative label: perfluor-n-tetradecaanzuur (pfteda)
alternative label: perfluortetradecaanzuur
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid @en
inchikey: RUDINRUXCKIXAJ-UHFFFAOYSA-N
notation: PFTeDA
in scheme: Conceptschema Chemische Stoffen
formula: C14HF27O2
pubchem: 67822
inchi: InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)
broader: CHEMONTID_0002949

2-chloortolueen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: IBSQPLPBRSHTTG-UHFFFAOYSA-N
notation: 2ClTol
broader: CHEMONTID_0001099
cas number: 95-49-8
inchi: InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
formula: C7H7Cl
smiles: CC1=CC=CC=C1Cl
iupac name: 1-Chloro-2-methylbenzene @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 7238

gadoxeetzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0002995
iupac name: 2-[[(2S)-2-[bis(2-oxido-2-oxoethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation; hydron @en
cas number: 135326-11-3
smiles: [H+].[H+].CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3]
pubchem: 219084
inchikey: PCZHWPSNPWAQNF-LMOVPXPDSA-K
inchi: InChI=1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3/p-3/t17-;/m0./s1
formula: C23H30GdN3O11
in scheme: Conceptschema Chemische Stoffen
notation: gadxzr

ijzerpentacarbonyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 26040
inchikey: FYOFOKCECDGJBF-UHFFFAOYSA-N
notation: FePecbnl
smiles: C=O.C=O.C=O.C=O.C=O.[Fe]
broader: CHEMONTID_0001270
cas number: 37220-42-1
cas number: 36823-35-5
cas number: 540770-45-4
cas number: 13463-40-6
iupac name: carbon monoxide; iron @en
inchi: InChI=1S/5CO.Fe/c5*1-2;
in scheme: Conceptschema Chemische Stoffen
formula: C5FeO5

1,2-butyleenoxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1331-08-4
cas number: 106-88-7
cas number: 55555-96-9
cas number: 26249-20-7
cas number: 59915-64-9
cas number: 26140-56-7
cas number: 38721-59-4
cas number: 28347-41-3
inchi: InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3
iupac name: 2-Ethyloxirane @en
formula: C4H8O
pubchem: 7834
broader: CHEMONTID_0000159
inchikey: RBACIKXCRWGCBB-UHFFFAOYSA-N
smiles: CCC1CO1
notation: 12C4yeO
in scheme: Conceptschema Chemische Stoffen

1,4-di-isopropylbenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 100-18-5
cas number: 700-18-5
pubchem: 7486
inchi: InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
formula: C12H18
broader: CHEMONTID_0000051
in scheme: Conceptschema Chemische Stoffen
inchikey: SPPWGCYEYAMHDT-UHFFFAOYSA-N
iupac name: 1,4-di(propan-2-yl)benzene @en
notation: 14DiC3yeBen
smiles: CC(C)C1=CC=C(C=C1)C(C)C

dodecaanamide N,N-bis2-hydroxyethyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 72968-36-6
cas number: 83590-20-9
cas number: 39341-48-5
cas number: 15517-64-3
cas number: 83452-99-7
cas number: 92680-75-6
cas number: 120-40-1
smiles: CCCCCCCCCCCC(=O)N(CCO)CCO
notation: C12aAdNNb2Ho
broader: CHEMONTID_0001096
inchi: InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3
in scheme: Conceptschema Chemische Stoffen
iupac name: N,N-Bis(2-hydroxyethyl)dodecanamide @en
pubchem: 8430
formula: C16H33NO3
inchikey: AOMUHOFOVNGZAN-UHFFFAOYSA-N
alternative label: dodecaanamide n,n-bis2-hydroxyethyl

texanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C12H24O3
cas number: 25134-27-4
cas number: 80525-37-7
cas number: 77-68-9
cas number: 141136-23-4
cas number: 25265-77-4
cas number: 129383-05-7
inchikey: DAFHKNAQFPVRKR-UHFFFAOYSA-N
iupac name: (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate @en
smiles: CC(C)C(C(C)(C)COC(=O)C(C)C)O
pubchem: 6490
broader: CHEMONTID_0001238
notation: texanl
inchi: InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3

n-acetyl-3,4-methyleendioxyamfetamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C12H15NO3/c1-8(13-9(2)14)5-10-3-4-11-12(6-10)16-7-15-11/h3-4,6,8H,5,7H2,1-2H3,(H,13,14)
inchikey: RSXXYTIHSOOFBG-UHFFFAOYSA-N
pubchem: 297310
notation: Nact34C1yeDO
in scheme: Conceptschema Chemische Stoffen
alternative label: N-acetyl-3,4-methyleendioxyamfetamine
formula: C12H15NO3
iupac name: N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]acetamide @en
smiles: CC(CC1=CC2=C(C=C1)OCO2)NC(=O)C
broader: CHEMONTID_0000296
cas number: 36209-71-9

methylisothiocyanaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: methylimino-sulfanylidenemethane @en
inchikey: LGDSHSYDSCRFAB-UHFFFAOYSA-N
broader: CHEMONTID_0001234
pubchem: 11167
notation: C1yitoCN
smiles: CN=C=S
formula: C2H3NS
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H3NS/c1-3-2-4/h1H3
cas number: 556-61-6

1,3,5-trimethylcyclohexaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3
smiles: CC1CC(CC(C1)C)C
in scheme: Conceptschema Chemische Stoffen
inchikey: ODNRTOSCFYDTKF-UHFFFAOYSA-N
notation: 135TC1yccC6a
formula: C9H18
broader: CHEMONTID_0001016
cas number: 1795-27-3
cas number: 1839-63-0
cas number: 1795-26-2
iupac name: 1,3,5-Trimethylcyclohexane @en
pubchem: 35364

2-(2,4,6-trichloorfenoxy)propion zuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004676
inchikey: HNDLJIIQWDVRRI-UHFFFAOYSA-N
notation: 2246TClfOxpp
formula: C9H7Cl3O3
cas number: 778-83-6
inchi: InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-6(11)2-5(10)3-7(8)12/h2-4H,1H3,(H,13,14)
iupac name: 2-(2,4,6-trichlorophenoxy)propanoic acid @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 248472
smiles: CC(C(=O)O)OC1=C(C=C(C=C1Cl)Cl)Cl

tetrasul
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl
broader: CHEMONTID_0003864
cas number: 2227-13-6
notation: T4sl
inchikey: QUWSDLYBOVGOCW-UHFFFAOYSA-N
iupac name: 1,2,4-trichloro-5-(4-chlorophenyl)sulfanylbenzene @en
inchi: InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H
formula: C12H6Cl4S
pubchem: 16685
in scheme: Conceptschema Chemische Stoffen

chloordimethylether
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001167
inchikey: XJUZRXYOEPSWMB-UHFFFAOYSA-N
cas number: 107-30-2
iupac name: chloro-methoxymethane @en
formula: C2H5ClO
pubchem: 7864
inchi: InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3
notation: ClDC1yEtr
smiles: COCCl

acetaminophen sulfaatester
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: potassium (4-acetamidophenyl) sulfate @en
broader: CHEMONTID_0002626
pubchem: 6365369
cas number: 129396-21-0
cas number: 32113-41-0
cas number: 10066-90-7
smiles: CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]
inchikey: AJYPYWFCUWHZMZ-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen
notation: actmnpSO4Esr
inchi: InChI=1S/C8H9NO5S.K/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13;/h2-5H,1H3,(H,9,10)(H,11,12,13);/q;+1/p-1
formula: C8H8KNO5S

ethylacetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
is referenced by: LUC IV 012
is referenced by: LUC IV 000
is referenced by: LUC IV 004
inchi: InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
iupac name: Ethyl acetate @en
comment: VLAR II bijl. 4.4.2
in scheme: Conceptschema Chemische Stoffen
pubchem: 8857
broader: CHEMONTID_0001238
cas number: 141-78-6
inchikey: XEKOWRVHYACXOJ-UHFFFAOYSA-N
formula: C4H8O2
notation: C2yactt
smiles: CCOC(=O)C

etrimfos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C10H17N2O4PS
iupac name: (6-ethoxy-2-ethylpyrimidin-4-yl)oxy-dimethoxy-sulfanylidenephosphorane @en
inchi: InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3
inchikey: FGIWFCGDPUIBEZ-UHFFFAOYSA-N
notation: etfs
cas number: 38260-54-7
broader: CHEMONTID_0004771
in scheme: Conceptschema Chemische Stoffen
pubchem: 37995
smiles: CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC

methoxyazijnzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: RMIODHQZRUFFFF-UHFFFAOYSA-N
cas number: 625-45-6
smiles: COCC(=O)O
iupac name: 2-Methoxyacetic acid @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001205
formula: C3H6O3
inchi: InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
pubchem: 12251
notation: C1oxHAc

1,1-dibroomethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 11201
cas number: 557-91-5
cas number: 25620-62-6
smiles: CC(Br)Br
in scheme: Conceptschema Chemische Stoffen
inchikey: APQIUTYORBAGEZ-UHFFFAOYSA-N
inchi: InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3
notation: 11DBrC2a
iupac name: 1,1-DIBROMOETHANE @en
broader: CHEMONTID_0001515
formula: C2H4Br2

anilazine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 7541
inchikey: IMHBYKMAHXWHRP-UHFFFAOYSA-N
broader: CHEMONTID_0000284
smiles: C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl
iupac name: 4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine @en
inchi: InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
formula: C9H5Cl3N4
in scheme: Conceptschema Chemische Stoffen
notation: anlzne
cas number: 101-05-3

ethiofencarbsulfon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 119490
iupac name: [2-(ethylsulfonylmethyl)phenyl] N-methylcarbamate @en
inchikey: IOPTXXRNXCPJGO-UHFFFAOYSA-N
broader: CHEMONTID_0004640
notation: etofcbsfn
formula: C11H15NO4S
inchi: InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
smiles: CCS(=O)(=O)CC1=CC=CC=C1OC(=O)NC
cas number: 53380-23-7
in scheme: Conceptschema Chemische Stoffen

1,2,3,5-tetrachloorbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C1=C(C=C(C(=C1Cl)Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
formula: C6H2Cl4
cas number: 634-90-2
cas number: 63697-21-2
pubchem: 12468
broader: CHEMONTID_0001099
inchikey: QZYNWJQFTJXIRN-UHFFFAOYSA-N
inchi: InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
notation: 1235T4ClBen
iupac name: 1,2,3,5-Tetrachlorobenzene @en

1-methoxypropylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 1-methoxypropyl acetate @en
inchi: InChI=1S/C6H12O3/c1-4-6(8-3)9-5(2)7/h6H,4H2,1-3H3
smiles: CCC(OC)OC(=O)C
broader: CHEMONTID_0001238
inchikey: ZAXXZBQODQDCOW-UHFFFAOYSA-N
pubchem: 3033863
formula: C6H12O3
in scheme: Conceptschema Chemische Stoffen
notation: C1oxC3yactt
cas number: 84540-57-8

trifenyltinchloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: 0
in scheme: Conceptschema Chemische Stoffen
iupac name: chloro-tri(phenyl)stannane @en
smiles: 0
inchikey: NRNWARROUIEBPJ-UHFFFAOYSA-N
inchi: InChI=1S/3C6H5.Cl.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;;
cas number: 639-58-7

bitertanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol @en
pubchem: 91656
notation: bittnl
formula: C20H23N3O2
cas number: 55179-31-2
inchikey: VGPIBGGRCVEHQZ-UHFFFAOYSA-N
broader: CHEMONTID_0000041

nafcilline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: AYAPZOUDXCDGIF-FRFVDRIFSA-M
formula: C21H21N2NaO5S
cas number: 147-52-4
cas number: 985-16-0
broader: CHEMONTID_0001189
notation: nafclne
in scheme: Conceptschema Chemische Stoffen
pubchem: 64712
iupac name: sodium (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate @en
inchi: InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1

methylkwikbenzoaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: C[Hg]OC(=O)C1=CC=CC=C1
cas number: 3626-13-9
notation: C1yHgbzat
broader: CHEMONTID_0002565
pubchem: 16683944
inchi: InChI=1S/C7H6O2.CH3.Hg/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);1H3;/q;;+1/p-1
inchikey: WKDZZKIPDBZSRW-UHFFFAOYSA-M
iupac name: benzoyloxy-methylmercury @en
formula: C8H8HgO2
in scheme: Conceptschema Chemische Stoffen

metconazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: XWPZUHJBOLQNMN-UHFFFAOYSA-N
broader: CHEMONTID_0001565
iupac name: 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol @en
formula: C17H22ClN3O
cas number: 125116-23-6
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
pubchem: 86210
notation: metcnzl

n,n'-bis(1,1-dimethylethyl)ureum
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 1,3-ditert-butylurea @en
pubchem: 21420
smiles: CC(C)(C)NC(=O)NC(C)(C)C
inchikey: WSABLXKFAPKFSO-UHFFFAOYSA-N
formula: C9H20N2O
in scheme: Conceptschema Chemische Stoffen
cas number: 5336-24-3
notation: NNb11DC1yC2y
broader: CHEMONTID_0000517
alternative label: N,N'-bis(1,1-dimethylethyl)ureum
inchi: InChI=1S/C9H20N2O/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)

triazichon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: Tazcn
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002494
iupac name: 2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione @en
inchikey: PXSOHRWMIRDKMP-UHFFFAOYSA-N
inchi: InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2
pubchem: 6235
cas number: 8059-32-3
cas number: 68-76-8
smiles: C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4
formula: C12H13N3O2

2,5-dichloor-4-nitroaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 6627-34-5
notation: 25DCl4NO2An
inchi: InChI=1S/C6H4Cl2N2O2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H,9H2
iupac name: 2,5-Dichloro-4-nitroaniline @en
smiles: C1=C(C(=CC(=C1Cl)[N+](=O)[O-])Cl)N
inchikey: JBXZCPXEYAEMJS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C6H4Cl2N2O2
broader: CHEMONTID_0000036
pubchem: 23108

2,2',3,4',5,5',6-heptachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 52663-68-0
formula: C12H3Cl7
pubchem: 40475
inchi: InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-11(18)8(16)3-9(17)12(10)19/h1-3H
notation: PCB187
iupac name: 1,2,4,5-tetrachloro-3-(2,4,5-trichlorophenyl)benzene @en
broader: CHEMONTID_0003030
inchikey: UDMZPLROONOSEF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

mecoprop-P
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C10H11ClO3
notation: mecppP
smiles: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O
inchi: InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1
broader: CHEMONTID_0004676
iupac name: (2R)-2-(4-chloro-2-methylphenoxy)propanoic acid @en
alternative label: mecoprop-p
inchikey: WNTGYJSOUMFZEP-SSDOTTSWSA-N
pubchem: 185588
in scheme: Conceptschema Chemische Stoffen
cas number: 16484-77-8

1,2,3,7,8-pentachloordibenzodioxine (pecdd)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
formula: C12H3Cl5O2
in scheme: Conceptschema Chemische Stoffen
notation: PCDD54
alternative label: 1,2,3,7,8-pentachloordibenzodioxine
alternative label: 1,2,3,7,8-pentachloordibenzo-p-dioxine
alternative label: 1,2,3,7,8-pentachloordibenzo-para-dioxine
is referenced by: LUC VI 002
iupac name: 1,2,3,7,8-pentachlorooxanthrene @en
inchikey: FSPZPQQWDODWAU-UHFFFAOYSA-N
broader: CHEMONTID_0000420
inchi: InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H
pubchem: 38439
cas number: 40321-76-4

1,6-dimethylnaftaleen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3
broader: CHEMONTID_0000023
cas number: 575-43-9
iupac name: 1,6-Dimethylnaphthalene @en
smiles: CC1=CC2=CC=CC(=C2C=C1)C
formula: C12H12
notation: 16DC1yNaf
in scheme: Conceptschema Chemische Stoffen
inchikey: CBMXCNPQDUJNHT-UHFFFAOYSA-N
pubchem: 11328

sulfaquinoxaline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 8027-68-7
cas number: 59-40-5
pubchem: 5338
in scheme: Conceptschema Chemische Stoffen
formula: C14H12N4O2S
notation: sulfqoxlne
inchikey: NHZLNPMOSADWGC-UHFFFAOYSA-N
broader: CHEMONTID_0000486
inchi: InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)
iupac name: 4-amino-N-quinoxalin-2-ylbenzenesulfonamide @en

p-chlooraniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 7812
iupac name: 4-Chloroaniline @en
broader: CHEMONTID_0000284
smiles: C1=CC(=CC=C1N)Cl
formula: C6H6ClN
cas number: 106-47-8
inchi: InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
inchikey: QSNSCYSYFYORTR-UHFFFAOYSA-N
alternative label: 4-chlooraniline
in scheme: Conceptschema Chemische Stoffen
notation: 4ClAn

4-nitrodifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 7114
inchi: InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
cas number: 92-93-3
cas number: 28984-85-2
iupac name: 1-Nitro-4-phenylbenzene @en
notation: 4NO2DFy
in scheme: Conceptschema Chemische Stoffen
formula: C12H9NO2
broader: CHEMONTID_0000041
inchikey: BAJQRLZAPXASRD-UHFFFAOYSA-N

flufenoxuron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: flufnxrn
cas number: 101463-69-8
iupac name: N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004513
inchikey: RYLHNOVXKPXDIP-UHFFFAOYSA-N
formula: C21H11ClF6N2O3
pubchem: 91766

cesium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: TVFDJXOCXUVLDH-UHFFFAOYSA-N
iupac name: CESIUM @en
formula: Cs
smiles: [Cs]
in scheme: Conceptschema Chemische Stoffen
cas number: 24347-12-4
cas number: 7440-46-2
pubchem: 5354618
notation: Cs
broader: CHEMONTID_0000425
inchi: InChI=1S/Cs

pendimethalin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: pendmtln
cas number: 64667-17-0
cas number: 39336-60-2
cas number: 155421-40-2
cas number: 64719-41-1
cas number: 40487-42-1
inchi: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
formula: C13H19N3O4
iupac name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline @en
inchikey: CHIFOSRWCNZCFN-UHFFFAOYSA-N
pubchem: 38479
smiles: CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
broader: CHEMONTID_0003968

musk-xyleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 62329
inchi: InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
in scheme: Conceptschema Chemische Stoffen
inchikey: XMWRWTSZNLOZFN-UHFFFAOYSA-N
smiles: CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]
iupac name: 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene @en
formula: C12H15N3O6
cas number: 81-15-2
notation: muskxln
broader: CHEMONTID_0000036

n,n'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000517
iupac name: 1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea @en
notation: NNb5iCN133TC
cas number: 55525-54-7
in scheme: Conceptschema Chemische Stoffen
pubchem: 108344
inchikey: SLSSBKMDWYZIRQ-UHFFFAOYSA-N
formula: C23H38N4O3
inchi: InChI=1S/C23H38N4O3/c1-20(2)7-17(26-15-28)9-22(5,11-20)13-24-19(30)25-14-23(6)10-18(27-16-29)8-21(3,4)12-23/h17-18H,7-14H2,1-6H3,(H2,24,25,30)
alternative label: N,N'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum

trans-fosfamidon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13170-92-8
cas number: 297-99-4
smiles: CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl
inchikey: RGCLLPNLLBQHPF-CMDGGOBGSA-N
iupac name: [(E)-3-chloro-4-diethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate @en
inchi: InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8+
notation: tfosfmdn
formula: C10H19ClNO5P
in scheme: Conceptschema Chemische Stoffen
pubchem: 3033834
broader: CHEMONTID_0003459

narasine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 65452
notation: narsne
inchi: InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1
iupac name: (2R)-2-[(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid @en
formula: C43H72O11
inchikey: VHKXXVVRRDYCIK-CWCPJSEDSA-N
broader: CHEMONTID_0001755
cas number: 55134-13-9

etonogestrel
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17?,18?,19?,20?,21?,22-/m0/s1
smiles: CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
broader: CHEMONTID_0003570
pubchem: 40976
iupac name: (17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one @en
inchikey: GCKFUYQCUCGESZ-KIIRVTSASA-N
notation: etngtl
formula: C22H28O2
cas number: 165050-21-5
cas number: 54048-10-1

monomethylarseenzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: QYPPRTNMGCREIM-UHFFFAOYSA-N
notation: MC1yAszr
formula: CH5AsO3
broader: CHEMONTID_0004239
pubchem: 8948
cas number: 124-58-3
cas number: 35745-11-0
cas number: 4950-59-8
iupac name: Methylarsonic acid @en
smiles: C[As](=O)(O)O
inchi: InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)
in scheme: Conceptschema Chemische Stoffen
alternative label: monomethyl arseenzuur

simvastatine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: RYMZZMVNJRMUDD-HGQWONQESA-N
iupac name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate @en
formula: C25H38O5
cas number: 79902-63-9
notation: simvstne
broader: CHEMONTID_0001244
in scheme: Conceptschema Chemische Stoffen
pubchem: 54454
inchi: InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1

campesterol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001403
inchikey: SGNBVLSWZMBQTH-UHFFFAOYSA-N
formula: C28H48O
pubchem: 312822
notation: campEsrol
cas number: 474-62-4
inchi: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3
iupac name: 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol @en

4-(1,1-dimethylethyl)-2-methyl-fenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0002811
smiles: CC1=C(C=CC(=C1)C(C)(C)C)O
pubchem: 7379
inchikey: SNKLPZOJLXDZCW-UHFFFAOYSA-N
iupac name: 4-tert-Butyl-2-methylphenol @en
inchi: InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3
in scheme: Conceptschema Chemische Stoffen
cas number: 98-27-1
formula: C11H16O
notation: 411DC1yC2y2C

quizalofop
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 76578-12-6
cas number: 95977-28-9
in scheme: Conceptschema Chemische Stoffen
inchikey: ABOOPXYCKNFDNJ-UHFFFAOYSA-N
notation: quizlfp
inchi: InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)
pubchem: 178795
formula: C17H13ClN2O4
broader: CHEMONTID_0004674
iupac name: 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid @en

deoxycorticosteron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 64-85-7
notation: dOxctctrn
formula: C21H30O3
in scheme: Conceptschema Chemische Stoffen
iupac name: (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one @en
inchi: InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
broader: CHEMONTID_0003095
pubchem: 6166
inchikey: ZESRJSPZRDMNHY-YFWFAHHUSA-N

3-ethyl-4-methylpyrrol-2,5-dion
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 20189-42-8
inchi: InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3H2,1-2H3,(H,8,9,10)
broader: CHEMONTID_0003203
iupac name: 3-ethyl-4-methylpyrrole-2,5-dione @en
pubchem: 29995
notation: 3C2y4C1yprl2
inchikey: CUBICSJJYOPOIA-UHFFFAOYSA-N
formula: C7H9NO2
in scheme: Conceptschema Chemische Stoffen
smiles: CCC1=C(C(=O)NC1=O)C

camphorsulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C
inchi: InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/p-1/t7-,10-/m0/s1
formula: C10H15O4S-
iupac name: [(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 3144-16-9
pubchem: 6992131
notation: campsfzr
inchikey: MIOPJNTWMNEORI-XVKPBYJWSA-M
broader: CHEMONTID_0001564

musk keton
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004298
pubchem: 6669
cas number: 81-14-1
smiles: CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C
in scheme: Conceptschema Chemische Stoffen
notation: muskketn
inchi: InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
iupac name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone @en
inchikey: WXCMHFPAUCOJIG-UHFFFAOYSA-N
formula: C14H18N2O5

goud 198
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: Au198
in scheme: Conceptschema Chemische Stoffen
inchikey: PCHJSUWPFVWCPO-OUBTZVSYSA-N
inchi: InChI=1S/Au/i1+1
broader: CHEMONTID_0000426
pubchem: 66274
cas number: 10043-49-9
iupac name: gold-198 @en
formula: Au
smiles: [Au]

nitrofen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
cas number: 51274-07-8
cas number: 1836-75-5
smiles: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
formula: C12H7Cl2NO3
broader: CHEMONTID_0004155
iupac name: 2,4-Dichloro-1-(4-nitrophenoxy)benzene @en
notation: NO2fn
pubchem: 15787
inchikey: XITQUSLLOSKDTB-UHFFFAOYSA-N

distikstof
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/N2/c1-2
cas number: 7727-37-9
cas number: 161728-27-4
cas number: 93037-13-9
cas number: 156457-45-3
smiles: N#N
iupac name: molecular nitrogen @en
inchikey: IJGRMHOSHXDMSA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: N2
broader: CHEMONTID_0000553
pubchem: 947
notation: N2

2,4,6-trimethylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 88-05-1
cas number: 6334-11-8
formula: C9H14ClN
inchikey: WUYJXWRFOUCHEB-UHFFFAOYSA-N
pubchem: 22796
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000284
smiles: CC1=CC(=C(C(=C1)C)[NH3+])C.[Cl-]
notation: 246TC1yAn
inchi: InChI=1S/C9H13N.ClH/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;1H
iupac name: (2,4,6-trimethylphenyl)azanium chloride @en

3,5-dichloornitrobenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 12064
cas number: 618-62-2
cas number: 33150-95-7
inchikey: RNABGKOKSBUFHW-UHFFFAOYSA-N
inchi: InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
formula: C6H3Cl2NO2
notation: 13DCl5NO2Ben
iupac name: 1,3-Dichloro-5-nitrobenzene @en
smiles: C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-]
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
alternative label: 1,3-dichloor-5-nitrobenzeen

1,1,2,2-tetrachloor-1,2-difluorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: CFK112
in scheme: Conceptschema Chemische Stoffen
cas number: 76-12-0
broader: CHEMONTID_0004521
inchikey: UGCSPKPEHQEOSR-UHFFFAOYSA-N
inchi: InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8
formula: C2Cl4F2
iupac name: 1,1,2,2-Tetrachloro-1,2-difluoroethane @en
pubchem: 6427
smiles: C(C(F)(Cl)Cl)(F)(Cl)Cl

tetraethyllood
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0004289
cas number: 78-00-2
iupac name: Tetraethylplumbane @en
formula: C8H20Pb
pubchem: 6511
in scheme: Conceptschema Chemische Stoffen
notation: T4C2yPb
smiles: CC[Pb](CC)(CC)CC
inchikey: MRMOZBOQVYRSEM-UHFFFAOYSA-N
inchi: InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;

oseltamivir
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: VSZGPKBBMSAYNT-RRFJBIMHSA-N
cas number: 196618-13-0
pubchem: 65028
iupac name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate @en
smiles: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
notation: ostmvr
broader: CHEMONTID_0001880
formula: C16H28N2O4

1,3,5-triallylisocyanuraat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 109521-50-8
cas number: 196519-94-5
cas number: 123339-46-8
cas number: 1025-15-6
notation: 135Talicaurt
iupac name: 1,3,5-tri(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione @en
pubchem: 13931
broader: CHEMONTID_0001920
inchi: InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2
smiles: C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C
in scheme: Conceptschema Chemische Stoffen
inchikey: KOMNUTZXSVSERR-UHFFFAOYSA-N
formula: C12H15N3O3

thiosemicarbazide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 6583
iupac name: aminothiourea @en
smiles: C(=NN)(N)S
broader: CHEMONTID_0001207
inchikey: BRWIZMBXBAOCCF-UHFFFAOYSA-N
notation: tosmcbzde
cas number: 79-19-6
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)
formula: CH5N3S

3-nitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 1-Methyl-3-nitrobenzene @en
pubchem: 7422
inchi: InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
inchikey: QZYHIOPPLUPUJF-UHFFFAOYSA-N
broader: CHEMONTID_0000036
notation: 3NO2Tol
in scheme: Conceptschema Chemische Stoffen
cas number: 99-08-1
formula: C7H7NO2
smiles: CC1=CC(=CC=C1)[N+](=O)[O-]

1,6-naftaleendisulfonzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: HEWDOWUUTBCVJP-UHFFFAOYSA-N
notation: 16NafDsfzr
formula: C10H8O6S2
cas number: 525-37-1
in scheme: Conceptschema Chemische Stoffen
pubchem: 10676
iupac name: NAPHTHALENE-1,6-DISULFONIC ACID @en
inchi: InChI=1S/C10H8O6S2/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
broader: CHEMONTID_0003601

2,2-dichloordiethylether
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2
broader: CHEMONTID_0001167
cas number: 92091-28-6
cas number: 111-44-4
in scheme: Conceptschema Chemische Stoffen
smiles: C(CCl)OCCCl
notation: 22DClDC2yEtr
iupac name: 1-chloro-2-(2-chloroethoxy)ethane @en
formula: C4H8Cl2O
pubchem: 8115
inchikey: ZNSMNVMLTJELDZ-UHFFFAOYSA-N

(3-chloor-4-methylfenyl)urea
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 25741
formula: C8H9ClN2O
broader: CHEMONTID_0001935
smiles: CC1=C(C=C(C=C1)NC(=O)N)Cl
inchikey: GAFWRUXZGSUTHS-UHFFFAOYSA-N
cas number: 13142-64-8
inchi: InChI=1S/C8H9ClN2O/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
iupac name: (3-CHLORO-4-METHYLPHENYL)UREA @en
notation: 3Cl4C1yFyura

alfa,alfa'-dihydroxy-1,3-diisopropylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C12H18O2/c1-11(2,13)9-6-5-7-10(8-9)12(3,4)14/h5-8,13-14H,1-4H3
notation: aaDHOxDiC3yB
broader: CHEMONTID_0002811
cas number: 1999-85-5
smiles: CC(C)(C1=CC(=CC=C1)C(C)(C)O)O
inchikey: UGPWRRVOLLMHSC-UHFFFAOYSA-N
pubchem: 74816
formula: C12H18O2
iupac name: 2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol @en
in scheme: Conceptschema Chemische Stoffen

2-methylnonaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 2C1yC9a
broader: CHEMONTID_0004620
cas number: 34464-38-5
cas number: 68551-17-7
cas number: 63335-88-6
cas number: 68551-16-6
cas number: 871-83-0
inchi: InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3
iupac name: 2-Methylnonane @en
smiles: CCCCCCCC(C)C
in scheme: Conceptschema Chemische Stoffen
inchikey: SGVYKUFIHHTIFL-UHFFFAOYSA-N
pubchem: 13379
formula: C10H22

molybdeen 99
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: ZOKXTWBITQBERF-AKLPVKDBSA-N
notation: Mo99
in scheme: Conceptschema Chemische Stoffen
formula: Mo
cas number: 14119-15-4
smiles: [Mo]
iupac name: molybdenum-99 @en
broader: CHEMONTID_0000426
inchi: InChI=1S/Mo/i1+3
pubchem: 104976

1-methoxy-4-(1-propenyl)benzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000138
inchi: InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
cas number: 57131-42-7
cas number: 109957-71-3
cas number: 4180-23-8
cas number: 12002-40-3
cas number: 50770-19-9
cas number: 104-46-1
cas number: 8022-08-0
inchikey: RUVINXPYWBROJD-ONEGZZNKSA-N
iupac name: ['1-methoxy-4-[(E)-prop-1-enyl]benzene', '1-methoxy-4-prop-1-enylbenzene'] @en
in scheme: Conceptschema Chemische Stoffen
formula: C10H12O
notation: 1C1ox41C3yeb
pubchem: 637563
smiles: CC=CC1=CC=C(C=C1)OC

lidocaine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 8059-42-5
cas number: 91484-71-8
cas number: 137-58-6
cas number: 8059-66-3
broader: CHEMONTID_0004209
formula: C14H22N2O
inchi: InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
pubchem: 3676
iupac name: 2-diethylamino-N-(2,6-dimethylphenyl)acetamide @en
notation: lidcine
inchikey: NNJVILVZKWQKPM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CCN(CC)CC(=O)NC1=C(C=CC=C1C)C

spiramycine III
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000282
cas number: 1405-27-2
cas number: 24916-52-7
cas number: 33299-71-7
cas number: 11001-07-3
cas number: 13429-99-7
cas number: 13441-33-3
cas number: 1403-59-4
cas number: 13445-44-8
cas number: 23410-82-4
cas number: 203005-19-0
iupac name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate @en
formula: C46H78N2O15
notation: spirmcIII
pubchem: 6440708
inchi: InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27-,28+,29-,30+,31+,32+,33+,34-,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-/m1/s1
in scheme: Conceptschema Chemische Stoffen
inchikey: HSZLKTCKAYXVBX-DCAGQSADSA-N
alternative label: spiramycine iii

dichloorvos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: OEBRKCOSUFCWJD-UHFFFAOYSA-N
cas number: 55819-32-4
cas number: 116788-91-1
cas number: 62139-95-1
cas number: 62655-59-8
cas number: 8076-16-2
cas number: 12772-40-6
cas number: 95828-55-0
cas number: 11095-17-3
cas number: 11126-72-0
cas number: 8072-21-7
cas number: 8023-22-1
cas number: 62-73-7
cas number: 11096-21-2
cas number: 8072-39-7
cas number: 11111-31-2
inchi: InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
pubchem: 3039
formula: C4H7Cl2O4P
notation: DClvs
smiles: COP(=O)(OC)OC=C(Cl)Cl
iupac name: ['2,2-Dichloroethenyl dimethyl phosphate', '2,2-dichloroethenoxy-hydroxy-dimethoxyphosphanium'] @en
broader: CHEMONTID_0003459

barium 133
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: [Ba]
inchi: InChI=1S/Ba/i1-4
broader: CHEMONTID_0000428
formula: Ba
in scheme: Conceptschema Chemische Stoffen
notation: Ba133
inchikey: DSAJWYNOEDNPEQ-AHCXROLUSA-N
pubchem: 5491664
iupac name: barium-133 @en
cas number: 13981-41-4

indol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
smiles: C1=CC=C2C(=C1)C=CN2
formula: C8H7N
notation: indl
inchikey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
cas number: 120-72-9
broader: CHEMONTID_0002497
pubchem: 798
iupac name: 1H-Indole @en

4-hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: VYKLRWGPNUVKNC-AATRIKPKSA-N
smiles: CC(=O)C=CC12C(CC(CC1(O2)C)O)(C)C
inchi: InChI=1S/C13H20O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,10,15H,7-8H2,1-4H3/b6-5+
broader: CHEMONTID_0001729
cas number: 38274-01-0
pubchem: 5371267
iupac name: (E)-4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one @en
notation: 4HOx12DHbjnn
formula: C13H20O3

malaoxon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3
iupac name: ['(1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-hydroxy-dimethoxyphosphanium', 'diethyl 2-dimethoxyphosphorylsulfanylbutanedioate'] @en
smiles: CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC
broader: CHEMONTID_0000324
formula: C10H19O7PS
cas number: 1634-78-2
in scheme: Conceptschema Chemische Stoffen
notation: malOon
pubchem: 15415
inchikey: WSORODGWGUUOBO-UHFFFAOYSA-N

bromophos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2104-96-3
cas number: 12778-42-6
cas number: 12778-41-5
pubchem: 16422
iupac name: (4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidenephosphorane @en
smiles: COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl
alternative label: bromofos-methyl
alternative label: methylbromofos
inchikey: NYQDCVLCJXRDSK-UHFFFAOYSA-N
broader: CHEMONTID_0004748
formula: C8H8BrCl2O3PS
in scheme: Conceptschema Chemische Stoffen
notation: C1yBrfs

chloorpicrine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: Clpcne
smiles: C([N+](=O)[O-])(Cl)(Cl)Cl
inchikey: LFHISGNCFUNFFM-UHFFFAOYSA-N
cas number: 76-06-2
pubchem: 6423
iupac name: trichloro-nitromethane @en
inchi: InChI=1S/CCl3NO2/c2-1(3,4)5(6)7
in scheme: Conceptschema Chemische Stoffen
formula: CCl3NO2
broader: CHEMONTID_0004160

succimer
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 2,3-bis-sulfanylbutanedioic acid @en
notation: succmr
pubchem: 9354
smiles: C(C(C(=O)O)S)(C(=O)O)S
inchi: InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)
cas number: 304-55-2
cas number: 2418-14-6
inchikey: ACTRVOBWPAIOHC-UHFFFAOYSA-N
broader: CHEMONTID_0001423
in scheme: Conceptschema Chemische Stoffen
formula: C4H6O4S2

fosetyl-aluminium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000323
iupac name: aluminum ethoxy-oxido-oxophosphanium @en
cas number: 39148-24-8
inchi: InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3
notation: fosC2yAl
inchikey: OIPMQULDKWSNGX-UHFFFAOYSA-N
smiles: CCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3]
formula: C6H15AlO9P3+3
in scheme: Conceptschema Chemische Stoffen
pubchem: 6328269

benzo(g,h,i)pery-leen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
alternative label: benzo(g,h,i)peryleen (b)
alternative label: benzo(ghi)peryleen
alternative label: benzo(g,h,i)peryleen
pubchem: 9117
inchikey: GYFAGKUZYNFMBN-UHFFFAOYSA-N
is referenced by: LUC VI 001
notation: BghiPe
formula: C22H12
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000316
inchi: InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
iupac name: hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene @en
cas number: 191-24-2

2,4,6-tribroomfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
cas number: 118-79-6
broader: CHEMONTID_0002769
formula: C6H3Br3O
pubchem: 1483
notation: 246TBrFol
iupac name: 2,4,6-Tribromophenol @en
smiles: C1=C(C=C(C(=C1Br)O)Br)Br
inchikey: BSWWXRFVMJHFBN-UHFFFAOYSA-N

mefluidide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 53780-34-0
cas number: 55584-91-3
cas number: 55599-99-0
notation: mefidde
pubchem: 40896
formula: C11H13F3N2O3S
in scheme: Conceptschema Chemische Stoffen
inchikey: OKIBNKKYNPBDRS-UHFFFAOYSA-N
broader: CHEMONTID_0000038

spiramycine ii
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 23684-35-7
cas number: 1405-26-1
cas number: 23684-34-6
cas number: 18810-02-1
cas number: 1403-58-3
cas number: 24916-51-6
inchikey: ZPCCSZFPOXBNDL-RSMXASMKSA-N
notation: spirmcII
pubchem: 5282173
formula: C45H76N2O15
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000282
alternative label: spiramycine II
iupac name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate @en
inchi: InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27+,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1

bupirimaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 58694-46-5
cas number: 41483-43-6
pubchem: 38884
in scheme: Conceptschema Chemische Stoffen
notation: buprmt
inchikey: DSKJPMWIHSOYEA-UHFFFAOYSA-N
broader: CHEMONTID_0001262
smiles: CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C
iupac name: (5-butyl-2-ethylamino-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate @en
formula: C13H24N4O3S
inchi: InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)

1,2-dichloor-1,2-difluorethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 33241
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK132
smiles: C(C(F)Cl)(F)Cl
formula: C2H2Cl2F2
cas number: 431-06-1
iupac name: 1,2-Dichloro-1,2-difluoroethane @en
inchi: InChI=1S/C2H2Cl2F2/c3-1(5)2(4)6/h1-2H
inchikey: IDSKMUOSMAUASS-UHFFFAOYSA-N

tetramethyl-1,4-benzeendiamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 27215-51-6
cas number: 100-22-1
broader: CHEMONTID_0003901
inchi: InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3
smiles: CN(C)C1=CC=C(C=C1)N(C)C
inchikey: CJAOGUFAAWZWNI-UHFFFAOYSA-N
notation: TMPD
in scheme: Conceptschema Chemische Stoffen
pubchem: 7490
iupac name: N,N,N',N'-tetramethylbenzene-1,4-diamine @en
formula: C10H16N2

1-(3-chloorallyl)-3,5,7-triaza-1-azoniaadamantaanchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002798
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-[(E)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride @en
inchi: InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1/b2-1+;
cas number: 60789-82-4
cas number: 4080-31-3
cas number: 103638-29-5
pubchem: 6433396
notation: 13Clal357Taz
inchikey: UKHVLWKBNNSRRR-TYYBGVCCSA-M
formula: C9H16Cl2N4
smiles: C1N2CN3CN1C[N+](C2)(C3)CC=CCl.[Cl-]

thiocyanaten
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 37223-05-5
cas number: 60168-45-8
cas number: 1111-68-8
cas number: 60773-55-9
cas number: 71048-69-6
cas number: 302-04-5
cas number: 70874-95-2
cas number: 81210-01-7
cas number: 62476-95-3
cas number: 69924-38-5
inchikey: ZMZDMBWJUHKJPS-UHFFFAOYSA-M
inchi: InChI=1S/CHNS/c2-1-3/h3H/p-1
pubchem: 9322
iupac name: thiocyanate @en
smiles: C(#N)[S-]
formula: CNS-
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001201

2,6-di-tert-butyl-4-ethylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C16H26O
cas number: 4130-92-1
cas number: 4130-42-1
iupac name: 2,6-ditert-butyl-4-ethylphenol @en
pubchem: 20087
inchi: InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3
smiles: CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
notation: 26DttC4y4C2y
inchikey: BVUXDWXKPROUDO-UHFFFAOYSA-N
broader: CHEMONTID_0002811

hexakis(methoxymethyl)melamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 11098-24-1
cas number: 66565-50-2
cas number: 174805-33-5
cas number: 3089-11-0
cas number: 37331-82-1
iupac name: N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine @en
notation: HxkC1oxC1yml
inchi: InChI=1S/C15H30N6O6/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6/h7-12H2,1-6H3
broader: CHEMONTID_0003901
inchikey: BNCADMBVWNPPIZ-UHFFFAOYSA-N
formula: C15H30N6O6
in scheme: Conceptschema Chemische Stoffen
pubchem: 62479

isopropylcyclohexaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 12763
notation: iC3yccC6a
inchikey: GWESVXSMPKAFAS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: propan-2-ylcyclohexane @en
smiles: CC(C)C1CCCCC1
formula: C9H18
cas number: 696-29-7
inchi: InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
broader: CHEMONTID_0001016

heptaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: HEPTANE @en
notation: C7a
broader: CHEMONTID_0002500
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 006
is referenced by: WAC IV A 016
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
inchi: InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
cas number: 8031-33-2
cas number: 142-82-5
cas number: 44607-13-8
pubchem: 8900
formula: C7H16
smiles: CCCCCCC
inchikey: IMNFDUFMRHMDMM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
alternative label: n-heptaan

naftaleen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C10H8
smiles: C1=CC=C2C=CC=CC2=C1
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC VI 001
cas number: 72931-45-4
cas number: 68412-25-9
cas number: 91-20-3
inchikey: UFWIBTONFRDIAS-UHFFFAOYSA-N
comment: VLAREM II bijlage 4.4.2
notation: Naf
inchi: InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
iupac name: NAPHTHALENE @en
broader: CHEMONTID_0000023
pubchem: 931

fluoreen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 86-73-7
cas number: 84987-80-4
cas number: 2299-68-5
iupac name: 9H-Fluorene @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000020
notation: Fle
smiles: C1C2=CC=CC=C2C3=CC=CC=C31
inchi: InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
is referenced by: LUC VI 001
formula: C13H10
inchikey: NIHNNTQXNPWCJQ-UHFFFAOYSA-N
pubchem: 6853

2-chloor-4,6-diamino-1,3,5-triazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 6-Chloro-1,3,5-triazine-2,4-diamine @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 18831
inchikey: FVFVNNKYKYZTJU-UHFFFAOYSA-N
inchi: InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
notation: 2Cl46Daotazn
cas number: 3397-62-4
formula: C3H4ClN5
smiles: C1(=NC(=NC(=N1)Cl)N)N
broader: CHEMONTID_0004721

benfuracarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3
cas number: 88650-68-4
cas number: 82560-54-1
pubchem: 54886
notation: benfrcb
formula: C20H30N2O5S
inchikey: FYZBOYWSHKHDMT-UHFFFAOYSA-N
broader: CHEMONTID_0004189
iupac name: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate @en

crimidine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: HJIUPFPIEBPYIE-UHFFFAOYSA-N
pubchem: 10813
broader: CHEMONTID_0003901
iupac name: 2-chloro-N,N,6-trimethylpyrimidin-4-amine @en
cas number: 535-89-7
formula: C7H10ClN3
smiles: CC1=CC(=NC(=N1)Cl)N(C)C
notation: crimdne
inchi: InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3

triethyleentetramine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 110670-33-2
cas number: 71124-11-3
cas number: 14175-14-5
cas number: 112-24-3
cas number: 105093-20-7
cas number: 39421-77-7
in scheme: Conceptschema Chemische Stoffen
notation: TC2yeT4Ae
inchikey: VILCJCGEZXAXTO-UHFFFAOYSA-N
inchi: InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
smiles: C(CNCCNCCN)N
iupac name: N,N'-bis(2-aminoethyl)ethane-1,2-diamine @en
formula: C6H18N4
broader: CHEMONTID_0002228
pubchem: 5565

diethylftalaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
smiles: CCOC(=O)C1=CC=CC=C1C(=O)OCC
broader: CHEMONTID_0001350
pubchem: 6781
inchikey: FLKPEMZONWLCSK-UHFFFAOYSA-N
notation: DC2yFt
iupac name: diethyl benzene-1,2-dicarboxylate @en
cas number: 84-66-2
cas number: 68988-18-1
formula: C12H14O4

4-chloorfenoxyazijnzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 26229
notation: 4CPA
smiles: C1=CC(=CC=C1OCC(=O)O)Cl
cas number: 122-88-3
inchikey: SODPIMGUZLOIPE-UHFFFAOYSA-N
broader: CHEMONTID_0004525
in scheme: Conceptschema Chemische Stoffen
formula: C8H7ClO3
iupac name: 2-(4-chlorophenoxy)acetic acid @en
inchi: InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

trifenylfosfine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: RIOQSEWOXXDEQQ-UHFFFAOYSA-N
pubchem: 11776
cas number: 112771-47-8
cas number: 603-35-0
broader: CHEMONTID_0001814
iupac name: tri(phenyl)phosphane @en
notation: Tfyffne
smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3
formula: C18H15P
inchi: InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
in scheme: Conceptschema Chemische Stoffen

1,8-diazacyclotetradecaan-2,9-dion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 18DazccC14a2
in scheme: Conceptschema Chemische Stoffen
inchikey: HERSSAVMHCMYSQ-UHFFFAOYSA-N
cas number: 56403-09-9
pubchem: 16
broader: CHEMONTID_0000064
smiles: C1CCC(=O)NCCCCCC(=O)NCC1
formula: C12H22N2O2
inchi: InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)
iupac name: 1,8-Diazacyclotetradecane-2,9-dione @en

carvon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: carvn
iupac name: 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one @en
formula: C10H14O
in scheme: Conceptschema Chemische Stoffen
pubchem: 7439
inchikey: ULDHMXUKGWMISQ-UHFFFAOYSA-N
cas number: 99-49-0
cas number: 22327-39-5
smiles: CC1=CCC(CC1=O)C(=C)C
broader: CHEMONTID_0001401
inchi: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3

n,n-dibutylformamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: N,N-DIBUTYLFORMAMIDE @en
broader: CHEMONTID_0001664
inchikey: NZMAJUHVSZBJHL-UHFFFAOYSA-N
alternative label: N,N-dibutylformamide
formula: C9H19NO
inchi: InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 12975
smiles: CCCCN(CCCC)C=O
cas number: 761-65-9
notation: NNDC4yfAd

2,5-dimethyl-1,4-dioxaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C6H12O2
notation: 25DC1y14DOxa
inchikey: AWBIJARKDOFDAN-UHFFFAOYSA-N
inchi: InChI=1S/C6H12O2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3
broader: CHEMONTID_0001313
cas number: 1331-15-3
cas number: 25136-55-4
cas number: 15176-21-3
smiles: CC1COC(CO1)C
iupac name: 2,5-dimethyl-1,4-dioxane @en
pubchem: 32803

mebendazol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 4030
inchi: InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
iupac name: methyl N-[6-(benzoyl)-1H-benzimidazol-2-yl]carbamate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 31431-39-7
inchikey: OPXLLQIJSORQAM-UHFFFAOYSA-N
notation: mebdzl
broader: CHEMONTID_0000120
formula: C16H13N3O3

1-(4-chloorfenyl)ureum
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1967-26-6
cas number: 140-38-5
iupac name: (4-CHLOROPHENYL)UREA @en
smiles: C1=CC(=CC=C1NC(=O)N)Cl
broader: CHEMONTID_0001935
notation: 14ClFyurum
pubchem: 8796
in scheme: Conceptschema Chemische Stoffen
inchikey: RECCURWJDVZHIH-UHFFFAOYSA-N
inchi: InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
formula: C7H7ClN2O

europium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/Eu
cas number: 110123-53-0
cas number: 7440-53-1
pubchem: 23981
formula: Eu
smiles: [Eu]
notation: Eu
broader: CHEMONTID_0000429
inchikey: OGPBJKLSAFTDLK-UHFFFAOYSA-N
iupac name: EUROPIUM @en
in scheme: Conceptschema Chemische Stoffen

trihexyfenidyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: HWHLPVGTWGOCJO-UHFFFAOYSA-N
pubchem: 5572
iupac name: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol @en
inchi: InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2
smiles: C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O
formula: C20H31NO
cas number: 144-11-6
broader: CHEMONTID_0003899
notation: Thxfidl
in scheme: Conceptschema Chemische Stoffen

beta-copaene
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C15H24
iupac name: (1R,2S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane @en
inchikey: UPVZPMJSRSWJHQ-HTXSYXIBSA-N
inchi: InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12?,13?,14+,15+/m0/s1
pubchem: 87529
smiles: CC(C)C1CCC2(C3C1C2C(=C)CC3)C
cas number: 18252-44-3
notation: bcpene
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001550

1,4-diaminobenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: 14DAoBen
cas number: 106-50-3
cas number: 56481-76-6
inchi: InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
broader: CHEMONTID_0000284
formula: C6H8N2
iupac name: benzene-1,4-diamine @en
smiles: C1=CC(=CC=C1N)N
pubchem: 7814
inchikey: CBCKQZAAMUWICA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

aldrin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: QBYJBZPUGVGKQQ-UHFFFAOYSA-N
notation: aldn
inchi: InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2
cas number: 309-00-2
broader: CHEMONTID_0002863
iupac name: 1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene @en
formula: C12H8Cl6
pubchem: 2087
is referenced by: WAC IV B 010

methylcyclopenteen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: C1yccC5e
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-Methylcyclopentene @en
smiles: CC1=CCCC1
pubchem: 12746
cas number: 27476-50-2
cas number: 693-89-0
broader: CHEMONTID_0004622
inchi: InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3
inchikey: ATQUFXWBVZUTKO-UHFFFAOYSA-N
formula: C6H10

2,2',4,5'-tetrachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C12H6Cl4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H
in scheme: Conceptschema Chemische Stoffen
cas number: 110866-20-1
cas number: 41464-40-8
inchikey: ZWPVHELAQPIZHO-UHFFFAOYSA-N
notation: PCB49
smiles: C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2)Cl)Cl
broader: CHEMONTID_0003030
alternative label: 2,2',4,5'-tetrachloorbifenyl (pcb49)
formula: C12H6Cl4
pubchem: 38876
iupac name: 2,4-dichloro-1-(2,5-dichlorophenyl)benzene @en

terbutaline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 5403
cas number: 46719-29-3
cas number: 23031-25-6
formula: C12H19NO3
iupac name: 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol @en
smiles: CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O
notation: terbtlne
inchikey: XWTYSIMOBUGWOL-UHFFFAOYSA-N
inchi: InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
broader: CHEMONTID_0000137

methaanthiol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/CH4S/c1-2/h2H,1H3
inchikey: LSDPWZHWYPCBBB-UHFFFAOYSA-N
cas number: 17719-48-1
cas number: 74-93-1
cas number: 63933-47-1
broader: CHEMONTID_0001212
pubchem: 878
smiles: CS
formula: CH4S
iupac name: METHANETHIOL @en
in scheme: Conceptschema Chemische Stoffen
notation: C1atol

pencycuron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: OGYFATSSENRIKG-UHFFFAOYSA-N
pubchem: 91692
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
iupac name: 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea @en
notation: penccrn
formula: C19H21ClN2O
broader: CHEMONTID_0001099
cas number: 66063-05-6

a-fenylethylamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: RQEUFEKYXDPUSK-UHFFFAOYSA-N
notation: 1FyC2yAe
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
broader: CHEMONTID_0003899
cas number: 618-36-0
cas number: 98-84-0
cas number: 3886-69-9
iupac name: 1-Phenylethanamine @en
pubchem: 7408
smiles: CC(C1=CC=CC=C1)N
in scheme: Conceptschema Chemische Stoffen

perfluor-n-decaanzuur (pfda)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: PFDA
broader: CHEMONTID_0003962
alternative label: perfluordecaanzuur (pfda)
alternative label: perfluordecaanzuur
alternative label: perfluor-n-decaanzuur
formula: C10HF19O2
inchikey: PCIUEQPBYFRTEM-UHFFFAOYSA-N
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid @en
inchi: InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)
pubchem: 9555
in scheme: Conceptschema Chemische Stoffen
cas number: 335-76-2

folpet
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: HKIOYBQGHSTUDB-UHFFFAOYSA-N
iupac name: 2-(trichloromethylsulfanyl)isoindole-1,3-dione @en
cas number: 52306-33-9
cas number: 133-07-3
in scheme: Conceptschema Chemische Stoffen
formula: C9H4Cl3NO2S
notation: folpt
inchi: InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
pubchem: 8607
smiles: C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl
broader: CHEMONTID_0004749

tributylacetylcitraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0002966
inchikey: QZCLKYGREBVARF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3-tributyl 2-acetyloxypropane-1,2,3-tricarboxylate @en
cas number: 37070-91-0
cas number: 77-90-7
inchi: InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
pubchem: 6505
formula: C20H34O8
notation: TC4yactcitt

2,2',3,4,4',5'-hexachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
is referenced by: CMA 3 I
is referenced by: LUC VI 002
alternative label: pcb 138
alternative label: pcb-138
alternative label: 2,2',3,4,4',5'-hexachloorbifenyl (pcb138)
alternative label: PCB-138
inchi: InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H
pubchem: 37035
inchikey: RPUMZMSNLZHIGZ-UHFFFAOYSA-N
broader: CHEMONTID_0003030
cas number: 35065-28-2
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene @en
formula: C12H4Cl6
notation: PCB138

2-propyl-1-heptanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001334
cas number: 10042-59-8
pubchem: 24847
formula: C10H22O
smiles: CCCCCC(CCC)CO
in scheme: Conceptschema Chemische Stoffen
inchikey: YLQLIQIAXYRMDL-UHFFFAOYSA-N
notation: 2C3y1C7ol
inchi: InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3
iupac name: 2-Propylheptan-1-ol @en

1-fenyl-2-ethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 60-12-8
cas number: 1321-27-3
in scheme: Conceptschema Chemische Stoffen
notation: 1Fy2C2ol
pubchem: 6054
iupac name: 2-PHENYLETHANOL @en
inchi: InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
smiles: C1=CC=C(C=C1)CCO
broader: CHEMONTID_0002279
formula: C8H10O
inchikey: WRMNZCZEMHIOCP-UHFFFAOYSA-N

koolstoftetrachloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: VZGDMQKNWNREIO-UHFFFAOYSA-N
notation: T4ClC1a
is referenced by: LUC IV 011
is referenced by: LUC IV 002
is referenced by: LUC IV 000
alternative label: tetrachloormethaan (tetra)
alternative label: tetrachloormethaan
pubchem: 5943
formula: CCl4
broader: CHEMONTID_0004157
inchi: InChI=1S/CCl4/c2-1(3,4)5
in scheme: Conceptschema Chemische Stoffen
smiles: C(Cl)(Cl)(Cl)Cl
comment: VLAR II bijl. 4.4.2
comment: VLAR III (D3)
iupac name: Tetrachloromethane @en
cas number: 56-23-5

methylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
cas number: 100-61-8
iupac name: N-Methylaniline @en
inchikey: AFBPFSWMIHJQDM-UHFFFAOYSA-N
smiles: CNC1=CC=CC=C1
formula: C7H9N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003924
pubchem: 7515
notation: C1yAn

tribroommethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 75-25-2
cas number: 4471-18-5
broader: CHEMONTID_0004160
in scheme: Conceptschema Chemische Stoffen
notation: TBrC1a
alternative label: bromoform
iupac name: Bromoform @en
smiles: C(Br)(Br)Br
formula: CHBr3
inchi: InChI=1S/CHBr3/c2-1(3)4/h1H
inchikey: DIKBFYAXUHHXCS-UHFFFAOYSA-N
pubchem: 5558

thiamethoxam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: thiamtxm
inchikey: NWWZPOKUUAIXIW-DHZHZOJOSA-N
smiles: CN1COCN(C1=N[N+](=O)[O-])CC2=CN=C(S2)Cl
pubchem: 5821911
inchi: InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+
formula: C8H10ClN5O3S
cas number: 153719-23-4
broader: CHEMONTID_0002635
in scheme: Conceptschema Chemische Stoffen
iupac name: ['(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide', 'N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide'] @en

diacetylmorfine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000058
iupac name: [(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate @en
inchikey: GVGLGOZIDCSQPN-PVHGPHFFSA-N
cas number: 2078-90-2
cas number: 561-27-3
inchi: InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1
pubchem: 5462328
notation: Dactmfne
in scheme: Conceptschema Chemische Stoffen
formula: C21H23NO5

flucofuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C15H8Cl2F6N2O
pubchem: 67788
inchikey: ABOVRDBEJDIBMZ-UHFFFAOYSA-N
broader: CHEMONTID_0001935
notation: flucfrn
iupac name: 1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]urea @en
cas number: 370-50-3

2,6-dichloorbenzoezuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 26DClbenzzr
smiles: C1=CC(=C(C(=C1)Cl)C(=O)O)Cl
inchikey: MRUDNSFOFOQZDA-UHFFFAOYSA-N
pubchem: 5758
cas number: 50-30-6
formula: C7H4Cl2O2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002611
iupac name: 2,6-Dichlorobenzoic acid @en
inchi: InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

tiamuline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 55297-95-5
inchikey: UURAUHCOJAIIRQ-QGLSALSOSA-N
formula: C28H47NO4S
pubchem: 656958
iupac name: [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate @en
notation: tiamlne
alternative label: thiamuline
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1
broader: CHEMONTID_0002003

2,2',3,5,5'-pentachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C12H5Cl5/c13-6-1-2-10(15)8(3-6)9-4-7(14)5-11(16)12(9)17/h1-5H
inchikey: CRCBRZBVCDKPGA-UHFFFAOYSA-N
notation: PCB92
cas number: 52663-61-3
iupac name: 1,2,5-trichloro-3-(2,5-dichlorophenyl)benzene @en
pubchem: 40469
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
formula: C12H5Cl5

dichloorfeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O
formula: C13H10Cl2O2
cas number: 1322-43-6
cas number: 8017-86-5
cas number: 97-23-4
notation: DClfn
iupac name: 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol @en
inchikey: MDNWOSOZYLHTCG-UHFFFAOYSA-N
pubchem: 3037
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2

1,1,2-tribroomethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 66222
inchi: InChI=1S/C2H3Br3/c3-1-2(4)5/h2H,1H2
in scheme: Conceptschema Chemische Stoffen
smiles: C(C(Br)Br)Br
broader: CHEMONTID_0001515
notation: 112TBrC2a
formula: C2H3Br3
inchikey: QUMDOMSJJIFTCA-UHFFFAOYSA-N
iupac name: 1,1,2-Tribromoethane @en
cas number: 78-74-0

methamfetamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 45952-89-4
cas number: 1690-86-4
cas number: 14611-50-8
cas number: 537-46-2
cas number: 139-47-9
in scheme: Conceptschema Chemische Stoffen
formula: C10H15N
inchikey: MYWUZJCMWCOHBA-VIFPVBQESA-N
inchi: InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
notation: methafAe
pubchem: 10836
smiles: CC(CC1=CC=CC=C1)NC
iupac name: (2S)-N-methyl-1-phenylpropan-2-amine @en
broader: CHEMONTID_0000188

cinnamaldehyde
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: ['(E)-3-phenylprop-2-enal', '3-phenylprop-2-enal'] @en
inchi: InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
pubchem: 637511
broader: CHEMONTID_0000029
in scheme: Conceptschema Chemische Stoffen
notation: cinnAh
cas number: 14371-10-9
cas number: 104-55-2
formula: C9H8O
smiles: C1=CC=C(C=C1)C=CC=O
inchikey: KJPRLNWUNMBNBZ-QPJJXVBHSA-N

desfenylchloridazon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)
cas number: 6339-19-1
inchikey: FEWPCPCEGBPTAL-UHFFFAOYSA-N
formula: C4H4ClN3O
notation: desFyClidzn
in scheme: Conceptschema Chemische Stoffen
iupac name: 5-amino-4-chloro-2H-pyridazin-3-one @en
smiles: C1=NNC(=O)C(=C1N)Cl
pubchem: 95827
broader: CHEMONTID_0001924

tripropyleenglycolmonomethylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3
cas number: 109201-64-1
cas number: 20324-33-8
cas number: 1335-22-4
formula: C10H22O4
notation: TC3yegcC1yEt
iupac name: 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol @en
smiles: CC(COC(C)COC(C)COC)O
inchikey: HPFDGTFXAVIVTH-UHFFFAOYSA-N
pubchem: 30111

2,4-dichloor-6-nitroaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: 24DCl6NO2An
broader: CHEMONTID_0000036
smiles: C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,4-Dichloro-6-nitroaniline @en
formula: C6H4Cl2N2O2
inchikey: IZEZAMILKKYOPW-UHFFFAOYSA-N
pubchem: 75893
inchi: InChI=1S/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
cas number: 2683-43-4

(1-ethylnonyl)-benzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 4536-87-2
smiles: CCCCCCCCC(CC)C1=CC=CC=C1
iupac name: undecan-3-ylbenzene @en
formula: C17H28
notation: 1C2yC9yBen
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
pubchem: 20655
inchikey: NVHBFHMWJJMQTG-UHFFFAOYSA-N
inchi: InChI=1S/C17H28/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3

2-nonadecanon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C19H38O
notation: 2C19on
smiles: CCCCCCCCCCCCCCCCCC(=O)C
iupac name: Nonadecan-2-one @en
broader: CHEMONTID_0000118
cas number: 629-66-3
inchi: InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3
pubchem: 69423
inchikey: IEDKVDCIEARIIU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

8:2 fluortelomeerfosfaat monoester
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0003458
formula: C10H6F17O4P
inchi: InChI=1S/C10H6F17O4P/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H2,28,29,30)
in scheme: Conceptschema Chemische Stoffen
notation: 8:2 PAP
pubchem: 10143739
inchikey: MIABSAQIFYEDJP-UHFFFAOYSA-N
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl dihydrogen phosphate @en
cas number: 57678-03-2

joxitalaminezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 36637
inchikey: PZTAFRMXSAAHMQ-UHFFFAOYSA-M
formula: C12H10I3N2NaO5
inchi: InChI=1S/C12H11I3N2O5.Na/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22;/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22);/q;+1/p-1
notation: joxtlmnzr
broader: CHEMONTID_0004361
iupac name: sodium 3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoate @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NCCO)I.[Na+]
cas number: 33954-26-6
cas number: 28179-44-4

tin 113
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: ATJFFYVFTNAWJD-VENIDDJXSA-N
formula: Sn
inchi: InChI=1S/Sn/i1-6
cas number: 13966-06-8
pubchem: 6335514
iupac name: tin-113 @en
notation: Sn113
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
smiles: [Sn]

tridecaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: SZHOJFHSIKHZHA-UHFFFAOYSA-N
iupac name: Tridecanoic acid @en
pubchem: 12530
notation: C13azr
cas number: 638-53-9
cas number: 68002-90-4
inchi: InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
smiles: CCCCCCCCCCCCC(=O)O
formula: C13H26O2
broader: CHEMONTID_0002949

orthofosfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 264888-19-9
cas number: 14265-44-2
cas number: 68891-72-5
notation: PO4
alternative label: fosfaat
formula: O4P-3
smiles: [O-]P(=O)([O-])[O-]
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
inchikey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
pubchem: 1061
broader: CHEMONTID_0001073
is referenced by: WAC III C 010
iupac name: phosphate @en

dimethyldisulfide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 624-92-0
cas number: 68920-64-9
in scheme: Conceptschema Chemische Stoffen
pubchem: 12232
formula: C2H6S2
smiles: CSSC
inchi: InChI=1S/C2H6S2/c1-3-4-2/h1-2H3
notation: DC1yDS
iupac name: Methyldisulfanylmethane @en
broader: CHEMONTID_0004089
inchikey: WQOXQRCZOLPYPM-UHFFFAOYSA-N

ketoprofen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 22161-86-0
cas number: 172964-50-0
cas number: 22071-15-4
inchi: InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
smiles: CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
pubchem: 3825
notation: ketpfn
inchikey: DKYWVDODHFEZIM-UHFFFAOYSA-N
broader: CHEMONTID_0000120
formula: C16H14O3
iupac name: 2-[3-(benzoyl)phenyl]propanoic acid @en

2,3,4,5 tetrachlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2,3,4,5-TETRACHLOROANILINE @en
inchi: InChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2
notation: 2345T4ClAn
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N
inchikey: GBKZRUCVLTWAML-UHFFFAOYSA-N
pubchem: 12466
cas number: 634-83-3
alternative label: 2,3,4,5-tetrachlooraniline
broader: CHEMONTID_0000284
formula: C6H3Cl4N
in scheme: Conceptschema Chemische Stoffen

4-nitrodifenylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: XXYMSQQCBUKFHE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000036
formula: C12H10N2O2
cas number: 836-30-6
pubchem: 13271
smiles: C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-]
iupac name: 4-Nitro-N-phenylaniline @en
notation: 4NO2DFyAe
inchi: InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H

pentachlooraniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 10693
inchi: InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
inchikey: KHCZSJXTDDHLGJ-UHFFFAOYSA-N
cas number: 527-20-8
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)N
notation: PeClAn
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,3,4,5,6-Pentachloroaniline @en
broader: CHEMONTID_0000284
formula: C6H2Cl5N

1,2,3-trichloorpropeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13116-57-9
cas number: 96-19-5
inchikey: HIILBTHBHCLUER-IWQZZHSRSA-N
formula: C3H3Cl3
in scheme: Conceptschema Chemische Stoffen
notation: 123TClC3e
broader: CHEMONTID_0002863
smiles: C(C(=CCl)Cl)Cl
iupac name: ['(Z)-1,2,3-trichloroprop-1-ene', '1,2,3-trichloroprop-1-ene'] @en
inchi: InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1-
pubchem: 5370144

2,2',3,4,4',5,6,6'-octachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: JDZUWXRNKHXZFE-UHFFFAOYSA-N
iupac name: 1,2,3,4,5-pentachloro-6-(2,4,6-trichlorophenyl)benzene @en
inchi: InChI=1S/C12H2Cl8/c13-3-1-4(14)6(5(15)2-3)7-8(16)10(18)12(20)11(19)9(7)17/h1-2H
pubchem: 91721
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030
formula: C12H2Cl8
cas number: 74472-52-9
notation: PCB204

natriumthiocyanaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13249-87-1
cas number: 104345-12-2
cas number: 540-72-7
notation: NatoCN
in scheme: Conceptschema Chemische Stoffen
inchikey: VGTPCRGMBIAPIM-UHFFFAOYSA-M
iupac name: ['SODIUM THIOCYANATE', 'Sodium isothiocyanate'] @en
pubchem: 10905
smiles: C(#N)[S-].[Na+]
inchi: InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1
formula: CNNaS
broader: CHEMONTID_0004611

ethyleenoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: C2yeO
in scheme: Conceptschema Chemische Stoffen
inchikey: IAYPIBMASNFSPL-UHFFFAOYSA-N
comment: VLAREM II bijlage 4.4.2
comment: VLAR III (D3) 'ethyleenoxide'
cas number: 184288-32-2
cas number: 99932-75-9
cas number: 19034-08-3
cas number: 9072-62-2
cas number: 75-21-8
cas number: 37341-05-2
broader: CHEMONTID_0000159
inchi: InChI=1S/C2H4O/c1-2-3-1/h1-2H2
pubchem: 6354
iupac name: ['Oxirane', '1-oxacycloprop-2-yne'] @en
smiles: C1CO1
formula: C2H4O

3-chloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2051-61-8
iupac name: 1-chloro-3-phenylbenzene @en
pubchem: 16322
notation: PCB2
inchi: InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
broader: CHEMONTID_0000500
formula: C12H9Cl
inchikey: NMWSKOLWZZWHPL-UHFFFAOYSA-N
smiles: C1=CC=C(C=C1)C2=CC(=CC=C2)Cl
in scheme: Conceptschema Chemische Stoffen

methyldihydrojasmonaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C13H22O3
inchikey: KVWWIYGFBYDJQC-UHFFFAOYSA-N
notation: C1yDHjasmnt
cas number: 80450-69-7
cas number: 24851-98-7
cas number: 29852-02-6
cas number: 2630-39-9
pubchem: 102861
inchi: InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCC1C(CCC1=O)CC(=O)OC
broader: CHEMONTID_0000512
iupac name: methyl 2-(3-oxo-2-pentylcyclopentyl)acetate @en

foraat-oxon-sulfoxide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H17O4PS2/c1-4-10-12(8,11-5-2)13-7-14(9)6-3/h4-7H2,1-3H3
formula: C7H17O4PS2
pubchem: 17426
notation: forOonSO
inchikey: RCRHKXGEYNVPDK-UHFFFAOYSA-N
broader: CHEMONTID_0000491
cas number: 2588-05-8
smiles: CCOP(=O)(OCC)SCS(=O)CC

risperidone
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 106266-06-2
inchikey: RAPZEAPATHNIPO-UHFFFAOYSA-N
broader: CHEMONTID_0001859
pubchem: 5073
inchi: InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
in scheme: Conceptschema Chemische Stoffen
notation: risprdne
iupac name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one @en
formula: C23H27FN4O2

dimetridazol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: IBXPYPUJPLLOIN-UHFFFAOYSA-N
cas number: 551-92-8
formula: C5H7N3O2
inchi: InChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2-Dimethyl-5-nitroimidazole @en
notation: DmTdzl
pubchem: 3090
broader: CHEMONTID_0000242
smiles: CC1=NC=C(N1C)[N+](=O)[O-]

PCB-28
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl
notation: PCB28
is referenced by: CMA 3 I
is referenced by: LUC VI 002
alternative label: pcb-28
alternative label: pcb 28
alternative label: 2,4,4'-trichloorbifenyl
alternative label: 2,4,4'-trichloorbifenyl (pcb28)
inchikey: BZTYNSQSZHARAZ-UHFFFAOYSA-N
pubchem: 23448
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030
iupac name: 2,4-dichloro-1-(4-chlorophenyl)benzene @en
cas number: 7012-37-5
inchi: InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H
formula: C12H7Cl3

dibroomchloorazijnzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C2HBr2ClO2
broader: CHEMONTID_0003000
cas number: 5278-95-5
smiles: C(=O)(C(Cl)(Br)Br)O
in scheme: Conceptschema Chemische Stoffen
inchikey: UCZDDMGNCJJAHK-UHFFFAOYSA-N
pubchem: 115266
inchi: InChI=1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7)
iupac name: 2,2-dibromo-2-chloroacetic acid @en
notation: DBrClHAc

chlorofyl-b
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: magnesium;methyl (21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate @en
pubchem: 11953851
inchikey: NSMUHPMZFPKNMZ-FCFLHPMBSA-M
inchi: InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32?,33?,36-,40-,51?;/m0./s1
notation: CHLFb
formula: C55H70MgN4O6
in scheme: Conceptschema Chemische Stoffen
cas number: 519-62-0

isoforon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CC1=CC(=O)CC(C1)(C)C
formula: C9H14O
inchi: InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
broader: CHEMONTID_0004325
iupac name: 3,5,5-trimethylcyclohex-2-en-1-one @en
notation: ifrn
in scheme: Conceptschema Chemische Stoffen
pubchem: 6544
inchikey: HJOVHMDZYOCNQW-UHFFFAOYSA-N
cas number: 78-59-1

naftaleen-1-carbonitril
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C1=CC=C2C(=C1)C=CC=C2C#N
cas number: 25551-35-3
cas number: 86-53-3
inchi: InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H
broader: CHEMONTID_0000023
pubchem: 6846
notation: Naf1cbntl
iupac name: Naphthalene-1-carbonitrile @en
in scheme: Conceptschema Chemische Stoffen
formula: C11H7N
inchikey: YJMNOKOLADGBKA-UHFFFAOYSA-N

4-methylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: pcresl
notation: scresl
cas number: 106-44-5
cas number: 72269-62-6
cas number: 1319-77-3
cas number: 2876-02-0
alternative label: p-cresol
alternative label: 4-methylfenol (p-cresol)
iupac name: 4-Methylphenol @en
broader: CHEMONTID_0001275
inchikey: IWDCLRJOBJJRNH-UHFFFAOYSA-N
formula: C7H8O
smiles: CC1=CC=C(C=C1)O
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
pubchem: 2879

5-alfa-cholestan-3-one
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3
cas number: 15600-08-5
notation: 5acholet3on
formula: C27H46O
pubchem: 85881
in scheme: Conceptschema Chemische Stoffen
iupac name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one @en
inchikey: PESKGJQREUXSRR-UHFFFAOYSA-N
broader: CHEMONTID_0001469

biperiden
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: YSXKPIUOCJLQIE-UHFFFAOYSA-N
cas number: 514-65-8
formula: C21H29NO
pubchem: 2381
broader: CHEMONTID_0003899
inchi: InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-(6-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol @en
notation: biprdn

seleniet
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001076
notation: SeO3
cas number: 14124-67-5
formula: O3Se-2
inchi: InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2
pubchem: 1090
iupac name: selenite @en
inchikey: MCAHWIHFGHIESP-UHFFFAOYSA-L
smiles: [O-][Se](=O)[O-]

europium 152
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 104907
inchi: InChI=1S/Eu/i1+0
notation: Eu152
iupac name: europium-152 @en
inchikey: OGPBJKLSAFTDLK-IGMARMGPSA-N
formula: Eu
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
smiles: [Eu]
cas number: 14683-23-9

ofurace
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: ofrce
broader: CHEMONTID_0000394
cas number: 58810-48-3
cas number: 75789-32-1
in scheme: Conceptschema Chemische Stoffen
pubchem: 42850
inchikey: OWDLFBLNMPCXSD-UHFFFAOYSA-N
iupac name: 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide @en
inchi: InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3
smiles: CC1=C(C(=CC=C1)C)N(C2CCOC2=O)C(=O)CCl
formula: C14H16ClNO3

2-benzylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 534-83-8
cas number: 28994-41-4
cas number: 1322-51-6
iupac name: 2-(phenylmethyl)phenol @en
smiles: C1=CC=C(C=C1)CC2=CC=CC=C2O
pubchem: 24216
formula: C13H12O
broader: CHEMONTID_0000369
inchi: InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2
in scheme: Conceptschema Chemische Stoffen
inchikey: CDMGNVWZXRKJNS-UHFFFAOYSA-N

dimethenamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0004144
alternative label: dimethenamid
smiles: CC1=CSC(=C1N(C(C)COC)C(=O)CCl)C
iupac name: 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide @en
formula: C12H18ClNO2S
cas number: 87674-68-8
inchi: InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3
pubchem: 91744
in scheme: Conceptschema Chemische Stoffen
notation: DmtAd
inchikey: JLYFCTQDENRSOL-UHFFFAOYSA-N

methylfenylsulfon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: methylsulfonylbenzene @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
broader: CHEMONTID_0004233
cas number: 3112-85-4
formula: C7H8O2S
inchikey: JCDWETOKTFWTHA-UHFFFAOYSA-N
smiles: CS(=O)(=O)C1=CC=CC=C1
pubchem: 18369
notation: C1yFysfn

ethyleenglycoldinitraat (egdn)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0004091
inchikey: UQXKXGWGFRWILX-UHFFFAOYSA-N
inchi: InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2
iupac name: 2-nitrooxyethyl nitrate @en
formula: C2H4N2O6
alternative label: ethyleenglycoldinitraat (EGDN)
pubchem: 40818
cas number: 121749-11-9
cas number: 628-96-6
smiles: C(CO[N+](=O)[O-])O[N+](=O)[O-]
notation: C2yegcDNO3
in scheme: Conceptschema Chemische Stoffen

2,6-dimethylheptaan-4-on
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
alternative label: 2,6-dimethyl-4-heptanon
formula: C9H18O
smiles: CC(C)CC(=O)CC(C)C
cas number: 68514-40-9
cas number: 108-83-8
inchikey: PTTPXKJBFFKCEK-UHFFFAOYSA-N
broader: CHEMONTID_0000118
is referenced by: LUC IV 000
is referenced by: LUC IV 012
is referenced by: LUC IV 007
pubchem: 7958
notation: 26DC1y4C7on
iupac name: 2,6-Dimethylheptan-4-one @en
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II bijl. 4.4.2
inchi: InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3

alachloor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl
pubchem: 2078
notation: alCl
formula: C14H20ClNO2
in scheme: Conceptschema Chemische Stoffen
cas number: 15972-60-8
inchikey: XCSGPAVHZFQHGE-UHFFFAOYSA-N
iupac name: 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide @en
inchi: InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
alternative label: alachlor
broader: CHEMONTID_0000285

4-methylcyclohexanon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
is referenced by: LUC IV 000
is referenced by: LUC IV 007
comment: VLAR II bijl. 4.4.2
alternative label: methylcyclohexanon
smiles: CC1CCC(=O)CC1
broader: CHEMONTID_0003487
inchi: InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
notation: 4Cy1cycC6on
formula: C7H12O
pubchem: 11525
inchikey: VGVHNLRUAMRIEW-UHFFFAOYSA-N
cas number: 1331-22-2
cas number: 589-92-4
iupac name: 4-methylcyclohexan-1-one @en
in scheme: Conceptschema Chemische Stoffen

cefalexine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15686-71-2
cas number: 105879-42-3
broader: CHEMONTID_0000173
formula: C16H20ClN3O5S
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H17N3O4S.ClH.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H;1H2/t10-,11-,15-;;/m1../s1
inchikey: YHJDZIQOCSDIQU-OEDJVVDHSA-N
pubchem: 62979
notation: ceflxne
iupac name: (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate hydrochloride @en

1,7-naftyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C8H6N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-6H
inchikey: MXBVNILGVJVVMH-UHFFFAOYSA-N
smiles: C1=CC2=C(C=NC=C2)N=C1
broader: CHEMONTID_0001857
cas number: 253-69-0
formula: C8H6N2
notation: 17naftrdne
pubchem: 9209
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,7-NAPHTHYRIDINE @en

2-hydroxy-cyclohexanon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C1CCC(=O)C(C1)O
inchikey: ODZTXUXIYGJLMC-UHFFFAOYSA-N
cas number: 114818-70-1
cas number: 30282-14-5
cas number: 533-60-8
formula: C6H10O2
iupac name: 2-Hydroxycyclohexan-1-one @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 10785
broader: CHEMONTID_0001292
inchi: InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2
notation: 2HOxccC6on

lanthaan 140
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/La/i1+1
broader: CHEMONTID_0000429
pubchem: 104882
inchikey: FZLIPJUXYLNCLC-OUBTZVSYSA-N
formula: La
cas number: 13981-28-7
smiles: [La]
notation: La140
in scheme: Conceptschema Chemische Stoffen
iupac name: lanthanum-140 @en

tebupirimfos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: (2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidenephosphorane @en
cas number: 96182-53-5
inchi: InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3
in scheme: Conceptschema Chemische Stoffen
inchikey: AWYOMXWDGWUJHS-UHFFFAOYSA-N
notation: tebprfs
pubchem: 93516
formula: C13H23N2O3PS
broader: CHEMONTID_0004771
smiles: CCOP(=S)(OC1=CN=C(N=C1)C(C)(C)C)OC(C)C

octacosaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 630-02-4
inchikey: ZYURHZPYMFLWSH-UHFFFAOYSA-N
formula: C28H58
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC
pubchem: 12408
notation: C28a
broader: CHEMONTID_0002500
iupac name: Octacosane @en

2-naftaleensulfonzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 120-18-3
cas number: 54257-18-0
inchikey: KVBGVZZKJNLNJU-UHFFFAOYSA-N
notation: 2Nafsfzr
pubchem: 8420
formula: C10H8O3S
broader: CHEMONTID_0003601
inchi: InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
iupac name: naphthalene-2-sulfonic acid @en
smiles: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O
in scheme: Conceptschema Chemische Stoffen

1,2-dichloor-1,1,2-trifluorethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 9631
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2-Dichloro-1,1,2-trifluoroethane @en
inchikey: YMRMDGSNYHCUCL-UHFFFAOYSA-N
notation: HCFK123a
formula: C2HCl2F3
smiles: C(C(F)(F)Cl)(F)Cl
inchi: InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H
cas number: 354-23-4

hexaflumuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: N-[[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide @en
pubchem: 91741
cas number: 86479-06-3
inchikey: RGNPBRKPHBKNKX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C16H8Cl2F6N2O3
notation: Hxfmrn
broader: CHEMONTID_0004513

stikstofdioxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/NO2/c2-1-3
alternative label: stikstofdioxide (NO2)
smiles: N(=O)[O]
cas number: 127999-62-6
cas number: 78246-05-6
cas number: 56003-83-9
cas number: 119990-11-3
cas number: 50443-93-1
cas number: 66252-28-6
cas number: 10102-44-0
broader: CHEMONTID_0000554
is referenced by: LUC II 001
formula: NO2
in scheme: Conceptschema Chemische Stoffen
inchikey: JCXJVPUVTGWSNB-UHFFFAOYSA-N
comment: VLAR II diverse art.
comment: VLAR II bijl. 4.4.2
comment: VLAR bijl. 2.5.3. 'NO2'
pubchem: 3032552
iupac name: Nitrogen dioxide @en

2,6,10,14-tetramethylpentadecaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 15979
notation: 261014T4C1yC
iupac name: 2,6,10,14-Tetramethylpentadecane @en
inchikey: XOJVVFBFDXDTEG-UHFFFAOYSA-N
inchi: InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3
cas number: 1921-70-6
broader: CHEMONTID_0001357
smiles: CC(C)CCCC(C)CCCC(C)CCCC(C)C
formula: C19H40
in scheme: Conceptschema Chemische Stoffen

antimoon 122
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: [Sb]
cas number: 14374-79-9
inchikey: WATWJIUSRGPENY-IGMARMGPSA-N
inchi: InChI=1S/Sb/i1+0
in scheme: Conceptschema Chemische Stoffen
formula: Sb
notation: Sb122
iupac name: antimony-122 @en
pubchem: 6335836
broader: CHEMONTID_0000431

chlorpyrifos-methyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 21803
in scheme: Conceptschema Chemische Stoffen
iupac name: dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane @en
alternative label: methylchloorpyrifos
alternative label: chloorpyrifos-methyl
inchi: InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3
cas number: 5598-13-0
notation: C1yClprfs
broader: CHEMONTID_0004623
formula: C7H7Cl3NO3PS
inchikey: HRBKVYFZANMGRE-UHFFFAOYSA-N
smiles: COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl

2-(1,1-dimethylethyl)-5-methylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: XOUQAVYLRNOXDO-UHFFFAOYSA-N
formula: C11H16O
pubchem: 6937
iupac name: 2-tert-Butyl-5-methylphenol @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC(=C(C=C1)C(C)(C)C)O
broader: CHEMONTID_0002811
cas number: 88-60-8
inchi: InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3
notation: 211DC1yC2y5C

2,4,6-trimethylpyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 108-75-8
formula: C8H11N
iupac name: 2,4,6-Trimethylpyridine @en
smiles: CC1=CC(=NC(=C1)C)C
in scheme: Conceptschema Chemische Stoffen
inchikey: BWZVCCNYKMEVEX-UHFFFAOYSA-N
inchi: InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3
pubchem: 7953
notation: 246TC1yprdne
broader: CHEMONTID_0004152

2-(2-(2-methoxyethoxy)ethoxy)ethanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: JLGLQAWTXXGVEM-UHFFFAOYSA-N
broader: CHEMONTID_0003338
cas number: 112-35-6
iupac name: 2-[2-(2-Methoxyethoxy)ethoxy]ethanol @en
inchi: InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
pubchem: 8178
in scheme: Conceptschema Chemische Stoffen
formula: C7H16O4
notation: 222C1oxC2oxC
smiles: COCCOCCOCCO

alfa-fenchylacetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: afencactt
inchikey: JUWUWIGZUVEFQB-UHFFFAOYSA-N
iupac name: (1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate @en
cas number: 4057-31-2
in scheme: Conceptschema Chemische Stoffen
smiles: CC(=O)OC1C(C2CCC1(C2)C)(C)C
inchi: InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3
broader: CHEMONTID_0001564
formula: C12H20O2
pubchem: 107217

2,2',3,3',4,6'-hexachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C12H4Cl6/c13-6-3-4-7(14)11(17)9(6)5-1-2-8(15)12(18)10(5)16/h1-4H
cas number: 38380-05-1
notation: PCB132
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030
pubchem: 38017
inchikey: OKBJVIVEFXPEOU-UHFFFAOYSA-N
iupac name: 1,2,3-trichloro-4-(2,3,6-trichlorophenyl)benzene @en
formula: C12H4Cl6

broomchloormethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: bromo-chloromethane @en
smiles: C(Cl)Br
notation: halon1011
broader: CHEMONTID_0004157
cas number: 74-97-5
cas number: 83847-49-8
cas number: 13590-47-1
formula: CH2BrCl
pubchem: 6333
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/CH2BrCl/c2-1-3/h1H2
inchikey: JPOXNPPZZKNXOV-UHFFFAOYSA-N

2-(2-butoxyethoxy)ethylacetaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCOCCOCCOC(=O)C
inchi: InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3
cas number: 98100-70-0
cas number: 124-17-4
pubchem: 31288
inchikey: VXQBJTKSVGFQOL-UHFFFAOYSA-N
notation: 22C4oxC2ox02
iupac name: 2-(2-Butoxyethoxy)ethyl acetate @en
formula: C10H20O4

9,9-dimethylxantheen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000200
inchi: InChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3
iupac name: 9,9-Dimethylxanthene @en
smiles: CC1(C2=CC=CC=C2OC3=CC=CC=C31)C
formula: C15H14O
inchikey: MTVNAPYHLASOSX-UHFFFAOYSA-N
notation: 99DC1yxtn
cas number: 19814-75-6
in scheme: Conceptschema Chemische Stoffen
pubchem: 606997

fenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 996
comment: VLAR III (D3, diverse art)
comment: VLAR II bijl. 4.4.2
inchikey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N
cas number: 27073-41-2
cas number: 63496-48-0
cas number: 73607-76-8
cas number: 61788-41-8
cas number: 108-95-2
cas number: 1336-35-2
cas number: 50356-25-7
cas number: 14534-23-7
cas number: 8002-07-1
in scheme: Conceptschema Chemische Stoffen
notation: Fol
formula: C6H6O
broader: CHEMONTID_0004647
inchi: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
is referenced by: LUC III 005
iupac name: PHENOL @en
smiles: C1=CC=C(C=C1)O

chloorprothixene
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine @en
inchikey: WSPOMRSOLSGNFJ-AUWJEWJLSA-N
inchi: InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
pubchem: 667467
in scheme: Conceptschema Chemische Stoffen
smiles: CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
broader: CHEMONTID_0000199
formula: C18H18ClNS
cas number: 113-59-7
notation: Clptxne

dimethomorf
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 110488-70-5
iupac name: (Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one @en
notation: Dmtmf
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
pubchem: 5463781
inchikey: QNBTYORWCCMPQP-JXAWBTAJSA-N
inchi: InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-
formula: C21H22ClNO4

2,3,3',4,5,6-hexachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-11(17)8(15)4-9(16)12(10)18/h1-4H
cas number: 74472-44-9
cas number: 41411-62-5
formula: C12H4Cl6
pubchem: 63079
iupac name: 1,2,4,5-tetrachloro-3-(3,4-dichlorophenyl)benzene @en
broader: CHEMONTID_0003030
inchikey: ZAGRQXMWMRUYRB-UHFFFAOYSA-N
notation: PCB160

1-chloornaftaleen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
cas number: 90-13-1
formula: C10H7Cl
iupac name: 1-Chloronaphthalene @en
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C2C(=C1)C=CC=C2Cl
notation: 1ClNaf
pubchem: 7003
inchikey: JTPNRXUCIXHOKM-UHFFFAOYSA-N
broader: CHEMONTID_0004794

methyl-1H-benzotriazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: CMGDVUCDZOBDNL-UHFFFAOYSA-N
cas number: 29878-31-7
cas number: 29385-43-1
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
formula: C7H7N3
iupac name: 4-methyl-2H-benzotriazole @en
broader: CHEMONTID_0000315
notation: C1y1Hbztazl
notation: 4C1y1Hbztazl
smiles: CC1=CC=CC2=NNN=C12
alternative label: 4-methyl-1H-benzotriazool
pubchem: 122499

fenmedifam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: IDOWTHOLJBTAFI-UHFFFAOYSA-N
notation: fenmdfm
formula: C16H16N2O4
pubchem: 24744
cas number: 13684-63-4
inchi: InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
broader: CHEMONTID_0004714
in scheme: Conceptschema Chemische Stoffen
iupac name: [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate @en

natriumpentachloorfenaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 131-52-2
inchikey: HCJLVWUMMKIQIM-UHFFFAOYSA-M
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[Na+]
inchi: InChI=1S/C6HCl5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1
broader: CHEMONTID_0001099
pubchem: 8568
formula: C6Cl5NaO
notation: NaPeClfnt
iupac name: sodium 2,3,4,5,6-pentachlorophenolate @en
in scheme: Conceptschema Chemische Stoffen

hafnium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: VBJZVLUMGGDVMO-UHFFFAOYSA-N
inchi: InChI=1S/Hf
broader: CHEMONTID_0000426
cas number: 7440-58-6
cas number: 412316-00-8
in scheme: Conceptschema Chemische Stoffen
iupac name: HAFNIUM @en
pubchem: 23986
notation: Hf
smiles: [Hf]
formula: Hf

dienochloor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: DenCl
inchi: InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18
broader: CHEMONTID_0002863
cas number: 2227-17-0
pubchem: 16686
iupac name: 1,2,3,4,5-pentachloro-5-(1,2,3,4,5-pentachloro-1-cyclopenta-2,4-dienyl)cyclopenta-1,3-diene @en
formula: C10Cl10
inchikey: LWLJUMBEZJHXHV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

propamocarb hydrochloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CCCOC(=O)NCCC[NH+](C)C.[Cl-]
cas number: 25606-41-1
cas number: 24579-73-5
broader: CHEMONTID_0002239
inchi: InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H
pubchem: 33112
notation: propmcbHCl
notation: propmcb
formula: C9H21ClN2O2
iupac name: dimethyl-[3-(propoxycarbonylamino)propyl]azanium chloride @en
alternative label: propamocarb
inchikey: MKIMSXGUTQTKJU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

1,2,3-trimethylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 1,2,3-Trimethylbenzene @en
broader: CHEMONTID_0002279
cas number: 25551-13-7
cas number: 526-73-8
pubchem: 10686
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 001
inchi: InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
notation: 123TC1yBen
smiles: CC1=C(C(=CC=C1)C)C
formula: C9H12
inchikey: FYGHSUNMUKGBRK-UHFFFAOYSA-N
comment: VLAR II bijl. 4.4.2 'trimethylbenzeen'
in scheme: Conceptschema Chemische Stoffen

kobalt 57
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 104851
cas number: 13981-50-5
broader: CHEMONTID_0000426
formula: Co
inchikey: GUTLYIVDDKVIGB-YPZZEJLDSA-N
iupac name: cobalt-57 @en
notation: Co57
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Co/i1-2
smiles: [Co]

koolstofdisulfide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II Art. 5.7.14.1
comment: VLAREM II bijlage 4.4.2 'zwavelkoolstof'
iupac name: methanedithione @en
in scheme: Conceptschema Chemische Stoffen
inchikey: QGJOPFRUJISHPQ-UHFFFAOYSA-N
notation: CS2
smiles: C(=S)=S
pubchem: 6348
cas number: 355120-85-3
cas number: 75-15-0
cas number: 12539-80-9
broader: CHEMONTID_0000555
formula: CS2
inchi: InChI=1S/CS2/c2-1-3

amisulpride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 71675-85-9
formula: C17H27N3O4S
notation: amspde
inchikey: NTJOBXMMWNYJFB-UHFFFAOYSA-N
inchi: InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
broader: CHEMONTID_0001917
pubchem: 2159
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide @en

2,4-dichloorbenzoezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: 24DClbenzzr
cas number: 50-84-0
iupac name: 2,4-Dichlorobenzoic acid @en
formula: C7H4Cl2O2
smiles: C1=CC(=C(C=C1Cl)Cl)C(=O)O
pubchem: 5787
inchikey: ATCRIUVQKHMXSH-UHFFFAOYSA-N
broader: CHEMONTID_0002611
inchi: InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
in scheme: Conceptschema Chemische Stoffen

triamcinolonehexacetonide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: TZIZWYVVGLXXFV-FLRHRWPCSA-N
iupac name: [2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3,3-dimethylbutanoate @en
pubchem: 21826
formula: C30H41FO7
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001468
inchi: InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1
cas number: 5611-51-8
notation: TacnlnHxactn

pcb-101
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
alternative label: 2,2',4,5,5'-pentachloorbifenyl
alternative label: pcb 101
alternative label: PCB-101
alternative label: 2,2',4,5,5'-pentachloorbifenyl (pcb101)
is referenced by: CMA 3 I
is referenced by: LUC VI 002
inchi: InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
broader: CHEMONTID_0003030
inchikey: LAHWLEDBADHJGA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 37680-73-2
formula: C12H5Cl5
iupac name: 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene @en
pubchem: 37807
notation: PCB101

dicyclopentadieen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 107760-16-7
cas number: 45737-84-6
cas number: 151065-56-4
cas number: 1755-01-7
cas number: 77-73-6
cas number: 60328-38-3
cas number: 54335-17-0
cas number: 25038-78-2
formula: C10H12
smiles: C1C=CC2C1C3CC2C=C3
iupac name: tricyclo[5.2.1.02,6]deca-3,8-diene @en
inchi: InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2
notation: DccPeDen
broader: CHEMONTID_0004149
pubchem: 6492
inchikey: HECLRDQVFMWTQS-UHFFFAOYSA-N

styreen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68987-41-7
cas number: 100-42-5
cas number: 68441-35-0
cas number: 12770-88-6
cas number: 9003-53-6
cas number: 79637-11-9
is referenced by: LUC IV 011
is referenced by: LUC IV 001
is referenced by: LUC IV 000
pubchem: 7501
smiles: C=CC1=CC=CC=C1
broader: CHEMONTID_0000037
inchi: InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
comment: VLAR II bijl. 4.4.2
inchikey: PPBRXRYQALVLMV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
alternative label: polystyreen
formula: C8H8
notation: polstyrn
notation: styrn
iupac name: Ethenylbenzene @en

fluroxypyr
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 50465
inchikey: MEFQWPUMEMWTJP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: flurOxpr
iupac name: 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetic acid @en
smiles: C(C(=O)O)OC1=NC(=C(C(=C1Cl)N)Cl)F
cas number: 69377-81-7
inchi: InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)
broader: CHEMONTID_0003971
formula: C7H5Cl2FN2O3

E-nitenpyram
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: CFRPSFYHXJZSBI-DHZHZOJOSA-N
cas number: 150824-47-8
inchi: InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+
notation: E-nitprm
iupac name: ["(E)-N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine", "N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine"] @en
broader: CHEMONTID_0004532
smiles: CCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])NC
formula: C11H15ClN4O2
in scheme: Conceptschema Chemische Stoffen
alternative label: e-nitenpyram
pubchem: 3034287

1,1,2-trichloorpropaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 11733
notation: 112TClC3a
formula: C3H5Cl3
smiles: CC(C(Cl)Cl)Cl
iupac name: 1,1,2-TRICHLOROPROPANE @en
inchi: InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3
broader: CHEMONTID_0001516
inchikey: GRSQYISVQKPZCW-UHFFFAOYSA-N
cas number: 598-77-6
in scheme: Conceptschema Chemische Stoffen

3-methylpentaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 3C1yC5a
broader: CHEMONTID_0004620
iupac name: 3-Methylpentane @en
inchikey: PFEOZHBOMNWTJB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CCC(C)CC
inchi: InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
cas number: 96-14-0
pubchem: 7282
formula: C6H14

vanadium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: V
in scheme: Conceptschema Chemische Stoffen
cas number: 7440-62-2
cas number: 22537-31-1
cas number: 14782-33-3
cas number: 22541-77-1
cas number: 24763-58-4
cas number: 195161-77-4
comment: VLAR II D5 'vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)' of 'vanadium'
comment: VLAR III (D3) 'Vanadium en vanadiumverbindingen, uitgedrukt in vanadium (V)'
comment: VLAR II bijl. 4.4.2 'vanadium en zijn verbindingen, uitgedrukt in V'
comment: VLAR III (D3, diverse art) 'V'
comment: VLAR III (D3) 'vanadium'
definition: vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)
is referenced by: LUC I 002
is referenced by: LUC III 010
broader: CHEMONTID_0000426
inchi: InChI=1S/V
smiles: [V]
iupac name: Vanadium @en
formula: V
inchikey: LEONUFNNVUYDNQ-UHFFFAOYSA-N
alternative label: Vanadium (V)
pubchem: 23990

pizotifen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: FIADGNVRKBPQEU-UHFFFAOYSA-N
cas number: 15574-96-6
iupac name: 1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine @en
pubchem: 27400
inchi: InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
notation: piztfn
broader: CHEMONTID_0002338
formula: C19H21NS
smiles: CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1

pyrimidifen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: pyrmdfn
formula: C20H28ClN3O2
cas number: 105779-78-0
iupac name: 5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amine @en
inchikey: ITKAIUGKVKDENI-UHFFFAOYSA-N
inchi: InChI=1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)
broader: CHEMONTID_0000139
pubchem: 6451139
in scheme: Conceptschema Chemische Stoffen

formetanaat-hydrochloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 23422-53-9
cas number: 18413-17-7
cas number: 22259-30-9
cas number: 26445-73-8
in scheme: Conceptschema Chemische Stoffen
alternative label: formetanaat
pubchem: 31899
inchi: InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H
formula: C11H16ClN3O2
smiles: CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl
iupac name: [3-(dimethylaminomethylideneamino)phenyl] N-methylcarbamate hydrochloride @en
inchikey: MYPKGPZHHQEODQ-UHFFFAOYSA-N
notation: formtnHCl
notation: formtnt
broader: CHEMONTID_0004640

fenazaquin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 120928-09-8
notation: fenzqn
iupac name: 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline @en
broader: CHEMONTID_0000485
inchikey: DMYHGDXADUDKCQ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C20H22N2O
pubchem: 86356
inchi: InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3

propofol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2,6-di(propan-2-yl)phenol @en
notation: propfl
cas number: 2078-54-8
cas number: 28449-97-0
cas number: 50356-15-5
smiles: CC(C)C1=C(C(=CC=C1)C(C)C)O
inchikey: OLBCVFGFOZPWHH-UHFFFAOYSA-N
pubchem: 4943
broader: CHEMONTID_0000355
inchi: InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
formula: C12H18O
in scheme: Conceptschema Chemische Stoffen

hydropreen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 41205-09-8
cas number: 36557-30-9
cas number: 36804-82-7
cas number: 38473-62-0
cas number: 41096-46-2
notation: Hpn
broader: CHEMONTID_0001550
iupac name: ['ethyl (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate', 'Ethyl 3,7,11-trimethyldodeca-2,4-dienoate'] @en
in scheme: Conceptschema Chemische Stoffen
inchikey: FYQGBXGJFWXIPP-UEVLXMDPSA-N
smiles: CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C
inchi: InChI=1S/C17H30O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8,12-15H,6-7,9-11H2,1-5H3/b12-8+,16-13+
pubchem: 5372477
formula: C17H30O2

cis-1-chloor-1-propeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: (Z)-1-chloroprop-1-ene @en
formula: C3H5Cl
broader: CHEMONTID_0002863
pubchem: 5326315
inchi: InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2-
notation: c1Cl1C3e
cas number: 590-21-6
cas number: 16136-84-8
in scheme: Conceptschema Chemische Stoffen
inchikey: OWXJKYNZGFSVRC-IHWYPQMZSA-N
smiles: CC=CCl

2,6-tolueendiisocyanaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 137091-34-0
cas number: 91-08-7
cas number: 9017-01-0
cas number: 168753-74-0
cas number: 110839-12-8
broader: CHEMONTID_0003983
iupac name: 1,3-Diisocyanato-2-methylbenzene @en
inchikey: RUELTTOHQODFPA-UHFFFAOYSA-N
pubchem: 7040
notation: 26TolDiCN
smiles: CC1=C(C=CC=C1N=C=O)N=C=O
formula: C9H6N2O2
inchi: InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3

3-hydroxy carbamazepine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000320
notation: 3HOxcbmzpne
inchi: InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19)
formula: C15H12N2O2
inchikey: QQCFBZCATDIWTH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 135290
iupac name: 9-hydroxybenzo[b][1]benzazepine-11-carboxamide @en
cas number: 68011-67-6

dibenz(a,h)acridine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C21H13N/c1-3-7-17-14(5-1)11-12-20-19(17)13-16-10-9-15-6-2-4-8-18(15)21(16)22-20/h1-13H
in scheme: Conceptschema Chemische Stoffen
inchikey: JNCSIWAONQTVCF-UHFFFAOYSA-N
notation: Dbenzahacdne
pubchem: 9183
cas number: 226-36-8
iupac name: 2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene @en
broader: CHEMONTID_0003017
formula: C21H13N

cyclanilide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 113136-77-9
formula: C11H9Cl2NO3
notation: cycnlde
inchi: InChI=1S/C11H9Cl2NO3/c12-5-1-2-9(8(13)3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)
pubchem: 86133
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid @en
broader: CHEMONTID_0000285
inchikey: DIOZMSACJPTBST-UHFFFAOYSA-N
smiles: C1C(C1C(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)Cl

tricosaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: Tricosane @en
smiles: CCCCCCCCCCCCCCCCCCCCCCC
cas number: 638-67-5
pubchem: 12534
formula: C23H48
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002500
notation: C23a
inchikey: FIGVVZUWCLSUEI-UHFFFAOYSA-N

2,2',4,6'-tetrabroomdifenylether
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: HFDOVSPQVPECFP-UHFFFAOYSA-N
notation: PBDE51
broader: CHEMONTID_0003954
formula: C12H6Br4
inchi: InChI=1S/C12H6Br4/c13-7-4-5-8(11(16)6-7)12-9(14)2-1-3-10(12)15/h1-6H
cas number: 97038-95-4
iupac name: 2,4-dibromo-1-(2,6-dibromophenyl)benzene @en
pubchem: 154509

4-dimethylaminoazobenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2
pubchem: 6053
cas number: 60-11-7
cas number: 55964-95-9
cas number: 77126-00-2
iupac name: N,N-dimethyl-4-phenyldiazenylaniline @en
notation: 4DC1yAoazBen
inchikey: JCYPECIVGRXBMO-UHFFFAOYSA-N
formula: C14H15N3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003370
inchi: InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3

lutetium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000429
pubchem: 23929
cas number: 7439-94-3
cas number: 110123-46-1
formula: Lu
notation: Lu
inchi: InChI=1S/Lu
iupac name: LUTETIUM @en
in scheme: Conceptschema Chemische Stoffen
inchikey: OHSVLFRHMCKCQY-UHFFFAOYSA-N
smiles: [Lu]

4,4'-diamino-1,1'-bianthrachinon-3,3'-disulfonzuur,dina-zout
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C28H14N2Na2O10S2
notation: 44DAo11btcnn
cas number: 6022-22-6
broader: CHEMONTID_0000151
inchikey: OKHQKAVALRCESS-UHFFFAOYSA-L
iupac name: disodium 1-amino-4-(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)-9,10-dioxoanthracene-2-sulfonate @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 80119
alternative label: 4,4'-diamino-1,1'-bianthrachinon-3,3'-disulfonzuur,diNa-zout

N-(2-fenylethyl)formamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
alternative label: n-(2-fenylethyl)formamide
broader: CHEMONTID_0002279
formula: C9H11NO
in scheme: Conceptschema Chemische Stoffen
pubchem: 140995
smiles: C1=CC=C(C=C1)CCNC=O
inchi: InChI=1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)
cas number: 23069-99-0
iupac name: N-(2-phenylethyl)formamide @en
notation: N2FyC2yfAd
inchikey: NOOOMJZHMKSKBF-UHFFFAOYSA-N

3,5-dinitroaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 35DNO2An
broader: CHEMONTID_0003968
iupac name: 3,5-Dinitroaniline @en
formula: C6H5N3O4
cas number: 618-87-1
inchikey: MPBZUKLDHPOCLS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
inchi: InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2
pubchem: 12068

metribuzin-desamino
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: MIWRSUQXSCLDNV-UHFFFAOYSA-N
formula: C8H13N3OS
iupac name: 6-tert-butyl-3-methylsulfanyl-2H-1,2,4-triazin-5-one @en
notation: metbzdAo
pubchem: 37028
smiles: CC(C)(C)C1=NNC(=NC1=O)SC
inchi: InChI=1S/C8H13N3OS/c1-8(2,3)5-6(12)9-7(13-4)11-10-5/h1-4H3,(H,9,11,12)
cas number: 35045-02-4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004631

endrin keton
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: IZHZFAQWVKBTSL-UHFFFAOYSA-N
formula: C12H8Cl6O
cas number: 7378-10-1
cas number: 53494-70-5
iupac name: 1,2,2,3,10,11-hexachloropentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-one @en
broader: CHEMONTID_0001549
pubchem: 62060
inchi: InChI=1S/C12H8Cl6O/c13-8-9(14)6-2-1-3(7(6)19)4-5(2)11(9,16)12(17,18)10(4,8)15/h2-6,8H,1H2

nafthionaat natriumzout
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: JWSRMCCRAJUMLX-UHFFFAOYSA-M
broader: CHEMONTID_0003600
in scheme: Conceptschema Chemische Stoffen
notation: naftontNa
inchi: InChI=1S/C10H9NO3S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1
smiles: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N.[Na+]
cas number: 14047-61-1
cas number: 130-13-2
iupac name: sodium 4-aminonaphthalene-1-sulfonate @en
pubchem: 8529
formula: C10H8NNaO3S

dinatriumcyanodithioimidocarbonaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004099
iupac name: disodium cyanoiminomethanedithiolate @en
pubchem: 61088
formula: C2N2Na2S2
smiles: C(#N)N=C([S-])[S-].[Na+].[Na+]
inchi: InChI=1S/C2H2N2S2.2Na/c3-1-4-2(5)6;;/h(H2,4,5,6);;/q;2*+1/p-2
cas number: 138-93-2
in scheme: Conceptschema Chemische Stoffen
notation: DNaCNDtoimdC
inchikey: AZDIXEXNLJMBJO-UHFFFAOYSA-L

3,3-dimethylpentaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004620
inchi: InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3
smiles: CCC(C)(C)CC
cas number: 562-49-2
iupac name: 3,3-Dimethylpentane @en
formula: C7H16
inchikey: AEXMKKGTQYQZCS-UHFFFAOYSA-N
pubchem: 11229
notation: 33DC1yC5a

triethanolamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C(CO)N(CCO)CCO
inchikey: GSEJCLTVZPLZKY-UHFFFAOYSA-N
inchi: InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
broader: CHEMONTID_0001897
cas number: 36549-55-0
cas number: 64114-46-1
cas number: 36549-54-9
cas number: 105655-27-4
cas number: 102-71-6
cas number: 36659-79-7
cas number: 36549-53-8
cas number: 20261-61-4
cas number: 126068-67-5
iupac name: ['2-(bis(2-hydroxyethynyl)amino)ethynol', '2-(bis(2-hydroxyethyl)amino)ethanol'] @en
in scheme: Conceptschema Chemische Stoffen
formula: C6H15NO3
notation: TC2olAe
pubchem: 7618

2,2',4-trichloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: YKKYCYQDUUXNLN-UHFFFAOYSA-N
notation: PCB17
smiles: C1=CC=C(C(=C1)C2=C(C=C(C=C2)Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H7Cl3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H
pubchem: 37804
broader: CHEMONTID_0003030
cas number: 37680-66-3
formula: C12H7Cl3
iupac name: 2,4-dichloro-1-(2-chlorophenyl)benzene @en

2,2',5,5'-tetrachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: PCB52
alternative label: 2,2',5,5'-tetrachloorbifenyl (pcb52)
alternative label: PCB-52
alternative label: pcb-52
alternative label: pcb 52
cas number: 35693-99-3
smiles: C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
inchikey: HCWZEPKLWVAEOV-UHFFFAOYSA-N
formula: C12H6Cl4
is referenced by: LUC VI 002
is referenced by: CMA 3 I
pubchem: 37248
broader: CHEMONTID_0003030
iupac name: 1,4-dichloro-2-(2,5-dichlorophenyl)benzene @en
inchi: InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H

2,3,4-trichlooraniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C6H4Cl3N
notation: 234TClAn
inchi: InChI=1S/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2
broader: CHEMONTID_0000284
smiles: C1=CC(=C(C(=C1N)Cl)Cl)Cl
inchikey: RRJUYQOFOMFVQS-UHFFFAOYSA-N
iupac name: 2,3,4-TRICHLOROANILINE @en
in scheme: Conceptschema Chemische Stoffen
cas number: 54686-91-8
cas number: 634-67-3
pubchem: 12464

3-methylheptaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 11519
inchikey: LAIUFBWHERIJIH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCC(C)CC
cas number: 116502-43-3
cas number: 589-81-1
iupac name: 3-Methylheptane @en
formula: C8H18
inchi: InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
broader: CHEMONTID_0004620
notation: 3C1yC7a

cyhexatin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: C1CCC(CC1)[Sn](C2CCCCC2)C3CCCCC3.O
inchikey: UGCNRZFAUBJVPT-UHFFFAOYSA-N
pubchem: 6327054
cas number: 13121-70-5
iupac name: tricyclohexyltin hydrate @en
in scheme: Conceptschema Chemische Stoffen
formula: C18H35OSn
notation: cyhxtn
broader: CHEMONTID_0003940
inchi: InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;

terbutryn
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0004735
inchi: InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
formula: C10H19N5S
smiles: CCNC1=NC(=NC(=N1)SC)NC(C)(C)C
in scheme: Conceptschema Chemische Stoffen
alternative label: terbutrin
cas number: 886-50-0
notation: terbtn
pubchem: 13450
iupac name: N-tert-butyl-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine @en
inchikey: IROINLKCQGIITA-UHFFFAOYSA-N

2-ethylhexylacrylaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yC6yaclt
cas number: 1322-13-0
cas number: 78733-32-1
cas number: 93460-77-6
cas number: 126830-03-3
cas number: 9003-77-4
cas number: 84948-57-2
cas number: 126830-02-2
cas number: 103-11-7
smiles: CCCCC(CC)COC(=O)C=C
pubchem: 7636
formula: C11H20O2
broader: CHEMONTID_0004452
inchikey: GOXQRTZXKQZDDN-UHFFFAOYSA-N
iupac name: 2-ethylhexyl prop-2-enoate @en
inchi: InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3

benzoximaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C18H18ClNO5/c1-4-20(25-18(22)12-8-6-5-7-9-12)17(21)15-14(23-2)11-10-13(19)16(15)24-3/h5-11H,4H2,1-3H3
pubchem: 34475
formula: C18H18ClNO5
cas number: 29104-30-1
inchikey: HOERQTQCTISLFR-UHFFFAOYSA-N
notation: benzxmt
iupac name: [(3-chloro-2,6-dimethoxybenzoyl)-ethylamino] benzoate @en
broader: CHEMONTID_0004111
in scheme: Conceptschema Chemische Stoffen

n,4-dimethylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
alternative label: N,4-dimethylaniline
cas number: 623-08-5
in scheme: Conceptschema Chemische Stoffen
pubchem: 12165
notation: N4DC1yAn
broader: CHEMONTID_0003964
inchi: InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3
smiles: CC1=CC=C(C=C1)NC
formula: C8H11N
inchikey: QCIFLGSATTWUQJ-UHFFFAOYSA-N
iupac name: N,4-DIMETHYLANILINE @en

dodecyltrimethylammonium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: C12yTC1yNH4B
formula: C15H34BrN
inchi: InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
cas number: 1119-94-4
cas number: 157929-06-1
alternative label: dodecyltrimethylammonium bromide
smiles: CCCCCCCCCCCC[N+](C)(C)C.[Br-]
broader: CHEMONTID_0004225
iupac name: dodecyl-trimethylazanium bromide @en
pubchem: 14249
inchikey: XJWSAJYUBXQQDR-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen

didodecylftalaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: DC12yFt
inchikey: PUFGCEQWYLJYNJ-UHFFFAOYSA-N
broader: CHEMONTID_0001350
cas number: 2432-90-8
pubchem: 17082
inchi: InChI=1S/C32H54O4/c1-3-5-7-9-11-13-15-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3
formula: C32H54O4
in scheme: Conceptschema Chemische Stoffen
iupac name: didodecyl benzene-1,2-dicarboxylate @en

perthaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 6295
inchikey: QFMDFTQOJHFVNR-UHFFFAOYSA-N
alternative label: perthane
cas number: 72-56-0
formula: C18H20Cl2
broader: CHEMONTID_0001550
notation: pertn
iupac name: 1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene @en
inchi: InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3

fluticasonpropionaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16?,18+,19+,22+,23+,24+,25+/m1/s1
inchikey: WMWTYOKRWGGJOA-ZHLGSTKJSA-N
broader: CHEMONTID_0001691
pubchem: 54580
notation: flutcsppont
in scheme: Conceptschema Chemische Stoffen
cas number: 80474-14-2
iupac name: [(6S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate @en
formula: C25H31F3O5S

1-decanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: MWKFXSUHUHTGQN-UHFFFAOYSA-N
cas number: 70084-71-8
cas number: 85566-12-7
cas number: 36729-58-5
cas number: 118374-94-0
cas number: 66455-17-2
cas number: 112-30-1
notation: 1C10ol
iupac name: DECAN-1-OL @en
inchi: InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
broader: CHEMONTID_0001334
smiles: CCCCCCCCCCO
pubchem: 8174
formula: C10H22O
in scheme: Conceptschema Chemische Stoffen

metformine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: 3-(diaminomethylidene)-1,1-dimethylguanidine @en
pubchem: 4091
notation: metfmne
smiles: CN(C)C(=N)N=C(N)N
formula: C4H11N5
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
broader: CHEMONTID_0000474
cas number: 4931-70-8
cas number: 657-24-9
inchikey: XZWYZXLIPXDOLR-UHFFFAOYSA-N

heptadecaanzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: KEMQGTRYUADPNZ-UHFFFAOYSA-N
cas number: 39390-60-8
cas number: 8034-56-8
cas number: 8034-58-0
cas number: 52051-63-5
cas number: 1338-46-1
cas number: 8043-36-5
cas number: 506-12-7
cas number: 68424-37-3
cas number: 45237-52-3
cas number: 28829-31-4
cas number: 8000-11-1
cas number: 176435-16-8
cas number: 67701-03-5
cas number: 63399-94-0
cas number: 7722-21-6
cas number: 37231-04-2
cas number: 67255-22-5
cas number: 8034-57-9
cas number: 45237-51-2
broader: CHEMONTID_0002949
smiles: CCCCCCCCCCCCCCCCC(=O)O
inchi: InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
iupac name: Heptadecanoic acid @en
notation: C17azr
in scheme: Conceptschema Chemische Stoffen
formula: C17H34O2
pubchem: 10465

anatoxine-a
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC(=O)C1=CCCC2CCC1N2
iupac name: 1-(9-azabicyclo[4.2.1]non-4-en-5-yl)ethanone @en
inchi: InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
inchikey: SGNXVBOIDPPRJJ-UHFFFAOYSA-N
notation: antxna
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001465
pubchem: 431734
formula: C10H15NO
cas number: 64285-06-9

4,5-dichloor-2-methyl-4-isothiazoline-3-on
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: CVZDIUZSWUDGOP-UHFFFAOYSA-N
pubchem: 147017
inchi: InChI=1S/C4H3Cl2NOS/c1-7-4(8)2(5)3(6)9-7/h1H3
smiles: CN1C(=O)C(=C(S1)Cl)Cl
cas number: 26542-23-4
broader: CHEMONTID_0001030
iupac name: 4,5-dichloro-2-methyl-1,2-thiazol-3-one @en
in scheme: Conceptschema Chemische Stoffen
notation: 45DCl2C1y4it
formula: C4H3Cl2NOS

1-methylnaftaleen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: QPUYECUOLPXSFR-UHFFFAOYSA-N
notation: 1C1yNaf
notation: C1yNaf
iupac name: 1-Methylnaphthalene @en
broader: CHEMONTID_0000023
cas number: 90-12-0
cas number: 1321-94-4
cas number: 78900-94-4
smiles: CC1=CC=CC2=CC=CC=C12
in scheme: Conceptschema Chemische Stoffen
formula: C11H10
inchi: InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
alternative label: methylnaftaleen
pubchem: 7002

irgarol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
alternative label: cybutryne
alternative label: cybutrine
notation: irgrl
cas number: 28159-98-0
inchikey: HDHLIWCXDDZUFH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 91590
smiles: CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC
broader: CHEMONTID_0004735
iupac name: N-tert-butyl-N'-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine @en
formula: C11H19N5S
inchi: InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)

2-methyl-2 propenal
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 78-85-3
iupac name: 2-methylprop-2-enal @en
formula: C4H6O
notation: 2Cy12C3eal
smiles: CC(=C)C=O
broader: CHEMONTID_0002436
pubchem: 6562
inchikey: STNJBCKSHOAVAJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3

2,3-dimethylpyridine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 23DC1yprdne
inchi: InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3
cas number: 27175-64-0
cas number: 583-61-9
broader: CHEMONTID_0004152
inchikey: HPYNZHMRTTWQTB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 11420
formula: C7H9N
iupac name: 2,3-Dimethylpyridine @en
smiles: CC1=C(N=CC=C1)C

1-(2-methoxypropoxy)-2-propanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 1-(2-Methoxypropoxy)propan-2-ol @en
notation: 12C1oxC3ox2C
in scheme: Conceptschema Chemische Stoffen
cas number: 13429-07-7
cas number: 1321-21-7
pubchem: 25982
broader: CHEMONTID_0001661
smiles: CC(COCC(C)OC)O
formula: C7H16O3
inchi: InChI=1S/C7H16O3/c1-6(8)4-10-5-7(2)9-3/h6-8H,4-5H2,1-3H3
inchikey: FOLPKOWCPVGUCA-UHFFFAOYSA-N

4-methyl-2-pentanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 4-Methylpentan-2-ol @en
inchikey: WVYWICLMDOOCFB-UHFFFAOYSA-N
formula: C6H14O
broader: CHEMONTID_0001661
cas number: 40747-85-1
cas number: 108-11-2
cas number: 72847-31-5
cas number: 20281-88-3
notation: 4C1y2C5ol
pubchem: 7910
inchi: InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)CC(C)O

1,1,2,2-tetrachloor-1-fluorethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C2HCl4F/c3-1(4)2(5,6)7/h1H
smiles: C(C(F)(Cl)Cl)(Cl)Cl
inchikey: LUBCGHUOCJOIJA-UHFFFAOYSA-N
cas number: 354-14-3
cas number: 134237-32-4
notation: HCFK121
formula: C2HCl4F
broader: CHEMONTID_0001517
pubchem: 61105
iupac name: 1,1,2,2-Tetrachloro-1-fluoroethane @en
in scheme: Conceptschema Chemische Stoffen

maneb
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 301-03-1
cas number: 12427-38-2
cas number: 11004-49-2
cas number: 28355-56-8
cas number: 12125-33-6
cas number: 20316-06-7
notation: manb
smiles: C(CN=C(S)[S-])N=C(S)[S-].[Mn+2]
in scheme: Conceptschema Chemische Stoffen
formula: C4H6MnN2S4
inchikey: YKSNLCVSTHTHJA-UHFFFAOYSA-L
inchi: InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2
broader: CHEMONTID_0004177
pubchem: 25553
iupac name: manganese(+2) cation; [2-(sulfidocarbothioylamino)ethylamino]methanedithioate @en

4-butoxyfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: 4C4oxFol
inchi: InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3
inchikey: MBGGFXOXUIDRJD-UHFFFAOYSA-N
iupac name: 4-Butoxyphenol @en
formula: C10H14O2
smiles: CCCCOC1=CC=C(C=C1)O
cas number: 122-94-1
pubchem: 31233
broader: CHEMONTID_0004628

1,3-diethyl-1,3-difenylureum
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 85-98-3
inchikey: PZIMIYVOZBTARW-UHFFFAOYSA-N
smiles: CCN(C1=CC=CC=C1)C(=O)N(CC)C2=CC=CC=C2
pubchem: 6828
inchi: InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001935
iupac name: 1,3-diethyl-1,3-di(phenyl)urea @en
notation: 13DC2y13Dfyu
formula: C17H20N2O

4-n-octylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 4-OCTYLPHENOL @en
pubchem: 15730
inchikey: NTDQQZYCCIDJRK-UHFFFAOYSA-N
formula: C14H22O
inchi: InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3
cas number: 1806-26-4
cas number: 71902-25-5
broader: CHEMONTID_0004646
smiles: CCCCCCCCC1=CC=C(C=C1)O
in scheme: Conceptschema Chemische Stoffen
alternative label: octylfenol
notation: 4C8yFol

lincomycine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: LFZGYTBWUHCAKF-DCNJEFSFSA-N
pubchem: 71476
cas number: 154-21-2
cas number: 7179-49-9
notation: lincmcne
formula: C18H37ClN2O7S
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004322
inchi: InChI=1S/C18H34N2O6S.ClH.H2O/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H;1H2/t9-,10-,11+,12-,13+,14-,15-,16-,18-;;/m1../s1
iupac name: (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrate hydrochloride @en

tantalium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: Ta
in scheme: Conceptschema Chemische Stoffen
formula: Ta
smiles: [Ta]
inchikey: GUVRBAGPIYLISA-UHFFFAOYSA-N
cas number: 7440-25-7
iupac name: TANTALUM @en
broader: CHEMONTID_0000426
pubchem: 23956
inchi: InChI=1S/Ta

rosiglitazon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
in scheme: Conceptschema Chemische Stoffen
formula: C18H19N3O3S
inchikey: YASAKCUCGLMORW-UHFFFAOYSA-N
pubchem: 77999
iupac name: 5-[[4-[2-(methyl-pyridin-2-ylamino)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione @en
cas number: 122320-73-4
notation: rosgtzn
broader: CHEMONTID_0002341

2-aminoacetofenon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 2Aoactfnn
inchi: InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
cas number: 551-93-9
cas number: 27941-88-4
pubchem: 11086
formula: C8H9NO
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-(2-aminophenyl)ethanone @en
broader: CHEMONTID_0004298
inchikey: GTDQGKWDWVUKTI-UHFFFAOYSA-N
smiles: CC(=O)C1=CC=CC=C1N

methiocarbsulfon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC1=CC(=CC(=C1S(=O)(=O)C)C)OC(=O)NC
pubchem: 16589
notation: metocbsfn
cas number: 2179-25-1
broader: CHEMONTID_0004640
formula: C11H15NO4S
in scheme: Conceptschema Chemische Stoffen
inchikey: RJBJMKAMQIOAML-UHFFFAOYSA-N
iupac name: (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate @en
inchi: InChI=1S/C11H15NO4S/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15/h5-6H,1-4H3,(H,12,13)

2,5-dimethylbenzeenesulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: IRLYGRLEBKCYPY-UHFFFAOYSA-N
notation: 25DC1yBensfz
pubchem: 11868
formula: C8H10O3S
smiles: CC1=CC(=C(C=C1)C)S(=O)(=O)O
cas number: 81789-92-6
cas number: 609-54-1
broader: CHEMONTID_0000032
iupac name: 2,5-DIMETHYLBENZENESULFONIC ACID @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)

silicium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 72516-03-1
cas number: 7803-62-5
cas number: 152284-21-4
cas number: 71536-23-7
cas number: 72516-02-0
cas number: 90337-93-2
cas number: 157383-37-4
cas number: 72516-01-9
cas number: 160371-18-6
cas number: 7440-21-3
cas number: 17375-03-0
pubchem: 5461123
iupac name: Silicon @en
notation: Si
inchikey: XUIMIQQOPSSXEZ-UHFFFAOYSA-N
smiles: [Si]
inchi: InChI=1S/Si
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000431
formula: Si

ethoprofos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CCCSP(=O)(OCC)SCCC
in scheme: Conceptschema Chemische Stoffen
inchikey: VJYFKVYYMZPMAB-UHFFFAOYSA-N
notation: etpfs
pubchem: 3289
formula: C8H19O2PS2
cas number: 13194-48-4
broader: CHEMONTID_0001438
inchi: InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3

1,1,1-trichloortolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 7367
formula: C7H5Cl3
cas number: 61878-57-7
cas number: 26601-65-0
cas number: 98-07-7
cas number: 30583-33-6
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
notation: 111TClTol
inchikey: XEMRAKSQROQPBR-UHFFFAOYSA-N
broader: CHEMONTID_0002279
iupac name: Trichloromethylbenzene @en
smiles: C1=CC=C(C=C1)C(Cl)(Cl)Cl

magnesiumhydroxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: Magnesium dihydroxide @en
inchikey: VTHJTEIRLNZDEV-UHFFFAOYSA-L
notation: MgOH2
inchi: InChI=1S/Mg.2H2O/h;2*1H2/q+2;;/p-2
cas number: 12195-86-7
cas number: 13760-51-5
cas number: 1309-42-8
cas number: 1317-43-7
in scheme: Conceptschema Chemische Stoffen
pubchem: 14791
broader: CHEMONTID_0000677
formula: H2MgO2
smiles: [OH-].[OH-].[Mg+2]

3,4-dimethylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
formula: C8H10O
cas number: 95-65-8
broader: CHEMONTID_0001275
notation: 34DC1yFol
pubchem: 7249
smiles: CC1=C(C=C(C=C1)O)C
inchikey: YCOXTKKNXUZSKD-UHFFFAOYSA-N
iupac name: 3,4-Dimethylphenol @en
in scheme: Conceptschema Chemische Stoffen

1,2,3-trichloorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C3H5Cl3
pubchem: 7285
iupac name: 1,2,3-Trichloropropane @en
inchikey: CFXQEHVMCRXUSD-UHFFFAOYSA-N
broader: CHEMONTID_0001516
smiles: C(C(CCl)Cl)Cl
notation: 123TClC3a
inchi: InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2
cas number: 96-18-4

cefalonium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C20H18N4O5S2
pubchem: 21743
iupac name: (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en
inchi: InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1
broader: CHEMONTID_0000173
inchikey: FMZXNVLFJHCSAF-DNVCBOLYSA-N
cas number: 5575-21-3

flunisolide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3385-03-3
notation: flunslde
iupac name: (1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one @en
broader: CHEMONTID_0003095
formula: C24H31FO6
inchikey: XSFJVAJPIHIPKU-XWCQMRHXSA-N
pubchem: 82153
inchi: InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
in scheme: Conceptschema Chemische Stoffen

prednison
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: XOFYZVNMUHMLCC-ZPOLXVRWSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione @en
cas number: 53-03-2
cas number: 68-59-7
broader: CHEMONTID_0003095
inchi: InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
notation: prednsn
pubchem: 5865
formula: C21H26O5

flusilazool
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: fluslzl
in scheme: Conceptschema Chemische Stoffen
pubchem: 73675
iupac name: bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane @en
cas number: 96827-34-8
cas number: 85509-19-9
inchi: InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3
inchikey: FQKUGOMFVDPBIZ-UHFFFAOYSA-N
formula: C16H15F2N3Si
broader: CHEMONTID_0001100

(1-butyloctyl)-benzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C18H30
broader: CHEMONTID_0002279
notation: 1C4yC8yBen
pubchem: 17630
cas number: 2719-63-3
smiles: CCCCCCCC(CCCC)C1=CC=CC=C1
in scheme: Conceptschema Chemische Stoffen
inchikey: NPAWGLOPXKCTCV-UHFFFAOYSA-N
inchi: InChI=1S/C18H30/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3
iupac name: dodecan-5-ylbenzene @en

dibenzo(a,j)antraceen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-13-18-12-10-16-6-2-4-8-20(16)22(18)14-21(17)19/h1-14H
cas number: 224-41-9
pubchem: 9176
notation: DBajAnt
inchikey: KLIHYVJAYWCEDM-UHFFFAOYSA-N
formula: C22H14
iupac name: pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene @en
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen

4-chloor-2-nitroaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: PBGKNXWGYQPUJK-UHFFFAOYSA-N
inchi: InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
cas number: 89-63-4
in scheme: Conceptschema Chemische Stoffen
notation: 4Cl2NO2An
broader: CHEMONTID_0000036
pubchem: 6979
formula: C6H5ClN2O2
smiles: C1=CC(=C(C=C1Cl)[N+](=O)[O-])N
iupac name: 4-Chloro-2-nitroaniline @en

calciumdihydroxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: Calcium dihydroxide @en
smiles: [OH-].[OH-].[Ca+2]
pubchem: 14777
broader: CHEMONTID_0000677
cas number: 1305-62-0
cas number: 7719-01-9
cas number: 1333-29-5
notation: CaOH2
inchi: InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2
formula: CaH2O2
inchikey: AXCZMVOFGPJBDE-UHFFFAOYSA-L

fenchlorazool-ethyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: GMBRUAIJEFRHFQ-UHFFFAOYSA-N
cas number: 103112-35-2
formula: C12H8Cl5N3O2
iupac name: ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate @en
pubchem: 3033865
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3
broader: CHEMONTID_0003314
notation: fecrzlC2y

lenacil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[e]pyrimidine-2,4-dione @en
cas number: 2164-08-1
inchi: InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)
inchikey: ZTMKADLOSYKWCA-UHFFFAOYSA-N
pubchem: 16559
smiles: C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O
notation: lencl
formula: C13H18N2O2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004161

dipropylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 8902
smiles: CCCNCCC
formula: C6H15N
inchi: InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3
iupac name: N-propylpropan-1-amine @en
broader: CHEMONTID_0002228
notation: DC3yAe
in scheme: Conceptschema Chemische Stoffen
inchikey: WEHWNAOGRSTTBQ-UHFFFAOYSA-N
cas number: 142-84-7

methylformiaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 7865
formula: C2H4O2
alternative label: methylformaat
smiles: COC=O
notation: C1yfmt
broader: CHEMONTID_0001238
iupac name: METHYL FORMATE @en
cas number: 107-31-3
inchikey: TZIHFWKZFHZASV-UHFFFAOYSA-N
inchi: InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
in scheme: Conceptschema Chemische Stoffen
comment: VLAREM II bijlage 4.4.2

fosthiazaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C9H18NO3PS2
inchi: InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3
broader: CHEMONTID_0000226
in scheme: Conceptschema Chemische Stoffen
pubchem: 91758
inchikey: DUFVKSUJRWYZQP-UHFFFAOYSA-N
cas number: 98886-44-3
smiles: CCC(C)SP(=O)(N1CCSC1=O)OCC
notation: fostazt
iupac name: 3-(butan-2-ylsulfanyl-ethoxyphosphoryl)-1,3-thiazolidin-2-one @en

isoquinoline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002566
iupac name: Isoquinoline @en
inchi: InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
cas number: 119-65-3
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C2C=NC=CC2=C1
formula: C9H7N
pubchem: 8405
inchikey: AWJUIBRHMBBTKR-UHFFFAOYSA-N
notation: iqnlne

methylnitrosoureum
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002444
cas number: 684-93-5
cas number: 28606-00-0
cas number: 820-60-0
cas number: 126742-50-5
notation: C1yNOurm
inchikey: ZRKWMRDKSOPRRS-UHFFFAOYSA-N
pubchem: 12699
formula: C2H5N3O2
iupac name: 1-Methyl-1-nitrosourea @en
smiles: CN(C(=O)N)N=O
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)

carboxymethylcellulose
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 204336-41-4
cas number: 191616-54-3
cas number: 196886-89-2
cas number: 9000-11-7
cas number: 177317-30-5
alternative label: carboxymethylcellulose (CMC)
broader: CHEMONTID_0001498
inchikey: VJHCJDRQFCCTHL-UHFFFAOYSA-N
smiles: CC(=O)O.C(C(C(C(C(C=O)O)O)O)O)O
inchi: InChI=1S/C6H12O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H,3,4)
notation: CMC
pubchem: 24748
in scheme: Conceptschema Chemische Stoffen
iupac name: acetic acid; 2,3,4,5,6-pentahydroxyhexanal @en
formula: C8H16O8

1,2-diethoxyethaan (diethylglycol)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C6H14O2
iupac name: 1,2-Diethoxyethane @en
cas number: 629-14-1
inchikey: LZDKZFUFMNSQCJ-UHFFFAOYSA-N
notation: 12DC2oxC2a
pubchem: 12375
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
smiles: CCOCCOCC
inchi: InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3

bisfenol-F
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000369
iupac name: 2-[(2-hydroxyphenyl)methyl]phenol @en
notation: bisFolF
formula: C13H12O2
smiles: C1=CC=C(C(=C1)CC2=CC=CC=C2O)O
inchikey: MQCPOLNSJCWPGT-UHFFFAOYSA-N
cas number: 2467-02-9
pubchem: 75575
inchi: InChI=1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2

cycluron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CN(C)C(=O)NC1CCCCCCC1
iupac name: 3-Cyclooctyl-1,1-dimethylurea @en
pubchem: 16554
formula: C11H22N2O
broader: CHEMONTID_0000517
cas number: 2163-69-1
inchikey: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
notation: cycrn
inchi: InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)

4,8-dioxa-3H-perfluornonaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 52915299
iupac name: 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003000
notation: ADONA
inchi: InChI=1S/C7H2F12O4/c8-1(3(9,10)2(20)21)22-5(13,14)4(11,12)6(15,16)23-7(17,18)19/h1H,(H,20,21)
cas number: 919005-14-4
formula: C7H2F12O4
inchikey: AFDRCEOKCOUICI-UHFFFAOYSA-N

2,4-dichlooraniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: KQCMTOWTPBNWDB-UHFFFAOYSA-N
smiles: C1=CC(=C(C=C1Cl)Cl)N
inchi: InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
notation: 24DClAn
pubchem: 11123
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,4-Dichloroaniline @en
formula: C6H5Cl2N
broader: CHEMONTID_0002564
cas number: 554-00-7

chloorthion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 10372
smiles: COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])Cl
inchikey: NZNRRXXETLSZRO-UHFFFAOYSA-N
notation: Clton
formula: C8H9ClNO5PS
iupac name: (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidenephosphorane @en
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
cas number: 500-28-7
inchi: InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3

nitriet
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
is referenced by: CMA 2 IV 4
is referenced by: WAC III C 002
smiles: N(=O)[O-]
cas number: 14797-65-0
cas number: 12183-96-9
cas number: 114466-53-4
inchikey: IOVCWXUNBOPUCH-UHFFFAOYSA-M
inchi: InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
in scheme: Conceptschema Chemische Stoffen
notation: NO2
broader: CHEMONTID_0001061
iupac name: NITRITE @en
formula: NO2-
pubchem: 946

thiofanox-sulfon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC(C)(C)C(=NOC(=O)NC)CS(=O)(=O)C
formula: C9H18N2O4S
broader: CHEMONTID_0004752
notation: tofnsfn
cas number: 39184-59-3
inchikey: PZOIECHFNQBYRT-YRNVUSSQSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: [(Z)-(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate @en
inchi: InChI=1S/C9H18N2O4S/c1-9(2,3)7(6-16(5,13)14)11-15-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+
pubchem: 5491760

1,2,4-trimethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 95-63-6
cas number: 95-36-3
is referenced by: LUC IV 001
is referenced by: LUC IV 011
is referenced by: LUC IV 000
smiles: CC1=CC(=C(C=C1)C)C
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II bijl. 4.4.2 'trimethylbenzeen'
inchi: InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
inchikey: GWHJZXXIDMPWGX-UHFFFAOYSA-N
formula: C9H12
pubchem: 7247
broader: CHEMONTID_0002279
iupac name: 1,2,4-Trimethylbenzene @en
notation: 124TC1yBen

1,2,3,6,7,8-hexachloordibenzo-p-dioxine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C12H2Cl6O2
pubchem: 42540
alternative label: 1,2,3,6,7,8-hexachloordibenzodioxine
alternative label: 1,2,3,6,7,8-hexachloordibenzodioxine (hxcdd)
alternative label: 1,2,3,6,7,8-hexachloordibenzo-para-dioxine
broader: CHEMONTID_0000420
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
iupac name: 1,2,3,6,7,8-hexachlorooxanthrene @en
is referenced by: LUC VI 002
inchikey: YCLUIPQDHHPDJJ-UHFFFAOYSA-N
inchi: InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H
notation: PCDD67
in scheme: Conceptschema Chemische Stoffen
cas number: 57653-85-7

heptenofos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: GBAWQJNHVWMTLU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: heptnfs
iupac name: (6-chloro-7-bicyclo[3.2.0]hepta-3,6-dienyl) dimethyl phosphate @en
broader: CHEMONTID_0003459
inchi: InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3
smiles: COP(=O)(OC)OC1=C(C2C1CC=C2)Cl
pubchem: 62773
cas number: 23560-59-0
cas number: 77107-77-8
formula: C9H12ClO4P

milbemycin A3
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: milbmcA3
iupac name: (1R,4S,5'S,6R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one @en
pubchem: 6436638
inchi: InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22?,24?,25-,26-,27+,28+,30-,31+/m0/s1
broader: CHEMONTID_0002902
formula: C31H44O7
in scheme: Conceptschema Chemische Stoffen
cas number: 51596-10-2
alternative label: milbemycin a3
inchikey: ZLBGSRMUSVULIE-SJRQICMCSA-N

strychnine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002749
formula: C21H22N2O2
pubchem: 441071
cas number: 57-24-9
in scheme: Conceptschema Chemische Stoffen
notation: strychnne
inchikey: QMGVPVSNSZLJIA-FVWCLLPLSA-N
iupac name: (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one @en
inchi: InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1

bismuth 207
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: [Bi]
broader: CHEMONTID_0000427
iupac name: bismuth-207 @en
pubchem: 6335818
cas number: 13982-38-2
inchikey: JCXGWMGPZLAOME-YPZZEJLDSA-N
notation: Bi207
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Bi/i1-2
formula: Bi

3,4-methyleendioxyethamfetamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: 3,4-Methyleendioxyethamfetamine
cas number: 82801-81-8
cas number: 74341-78-9
notation: 34C1yeDoxeaf
in scheme: Conceptschema Chemische Stoffen
formula: C12H18ClNO2
inchi: InChI=1S/C12H17NO2.ClH/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11;/h4-5,7,9,13H,3,6,8H2,1-2H3;1H
iupac name: 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine hydrochloride @en
pubchem: 3057998
broader: CHEMONTID_0000296
inchikey: IBDIPBWIXJRJQM-UHFFFAOYSA-N
smiles: CCNC(C)CC1=CC2=C(C=C1)OCO2.Cl

2,6-dimethylheptaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1072-05-5
pubchem: 14069
broader: CHEMONTID_0004620
inchikey: KBPCCVWUMVGXGF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H20/c1-8(2)6-5-7-9(3)4/h8-9H,5-7H2,1-4H3
iupac name: 2,6-DIMETHYLHEPTANE @en
formula: C9H20
notation: 26DC1yC7a
smiles: CC(C)CCCC(C)C

2,3-dimethylbutaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: 23DC1yC4a
pubchem: 6589
smiles: CC(C)C(C)C
iupac name: 2,3-Dimethylbutane @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
cas number: 79-29-8
broader: CHEMONTID_0004620
formula: C6H14
inchikey: ZFFMLCVRJBZUDZ-UHFFFAOYSA-N

ethyl-4,4'-dichloorbenzilaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000369
formula: C16H14Cl2O3
notation: C2y44DClbzlt
inchikey: RAPBNVDSDCTNRC-UHFFFAOYSA-N
iupac name: ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate @en
pubchem: 10522
in scheme: Conceptschema Chemische Stoffen
cas number: 510-15-6
inchi: InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3

sarafloxacine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C20H17F2N3O3.ClH/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24;/h1-4,9-11,23H,5-8H2,(H,27,28);1H
in scheme: Conceptschema Chemische Stoffen
inchikey: KNWODGJQLCISLC-UHFFFAOYSA-N
pubchem: 56207
formula: C20H18ClF2N3O3
cas number: 91296-87-6
cas number: 98105-99-8
broader: CHEMONTID_0002348
iupac name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid hydrochloride @en

proclonol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 26450
broader: CHEMONTID_0000369
iupac name: bis(4-chlorophenyl)-cyclopropylmethanol @en
inchikey: BKAYSPSVVJBHHK-UHFFFAOYSA-N
formula: C16H14Cl2O
in scheme: Conceptschema Chemische Stoffen
cas number: 14088-71-2
notation: proclnl
inchi: InChI=1S/C16H14Cl2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2

uranium 235
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/U/i1-3
formula: U
pubchem: 61784
inchikey: JFALSRSLKYAFGM-OIOBTWANSA-N
iupac name: uranium-235 @en
broader: CHEMONTID_0000430
smiles: [U]
notation: U235
cas number: 15117-96-1

kaliumbromaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: KBrO3
pubchem: 24444
broader: CHEMONTID_0000631
cas number: 7758-01-2
inchi: InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
inchikey: OCATYIAKPYKMPG-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen
iupac name: POTASSIUM BROMATE @en
formula: BrKO3
smiles: [O-]Br(=O)=O.[K+]

pentachloorthioanisole
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C7H3Cl5S
inchi: InChI=1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
pubchem: 15766
cas number: 1825-19-0
notation: PCTA
smiles: CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
iupac name: 1,2,3,4,5-pentachloro-6-methylsulfanylbenzene @en
inchikey: LGZZJTIUEJNNKV-UHFFFAOYSA-N
broader: CHEMONTID_0004631

dodecaanzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8045-27-0
cas number: 143-07-7
cas number: 7632-48-6
cas number: 203714-07-2
cas number: 8000-62-2
pubchem: 3893
formula: C12H24O2
inchikey: POULHZVOKOAJMA-UHFFFAOYSA-N
iupac name: Dodecanoic acid @en
inchi: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
smiles: CCCCCCCCCCCC(=O)O
notation: C12azr
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen

dinoseb
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
cas number: 88-85-7
cas number: 152212-20-9
cas number: 39403-80-0
formula: C10H12N2O5
in scheme: Conceptschema Chemische Stoffen
alternative label: 2-sec-butyl-4,6-dinitrofenol
pubchem: 6950
notation: Dnsb
inchikey: OWZPCEFYPSAJFR-UHFFFAOYSA-N
broader: CHEMONTID_0004505
iupac name: 2-butan-2-yl-4,6-dinitrophenol @en
smiles: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O

paraoxon-methyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
iupac name: dimethyl (4-nitrophenyl) phosphate @en
smiles: COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
cas number: 950-35-6
pubchem: 13708
formula: C8H10NO6P
inchikey: BAFQDKPJKOLXFZ-UHFFFAOYSA-N
notation: paroonC1y
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000036

tetryl (ce)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
alternative label: tetryl (CE)
pubchem: 10178
formula: C7H5N5O8
iupac name: N-methyl-N-(2,4,6-trinitrophenyl)nitramide @en
smiles: CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: tetl
inchikey: AGUIVNYEYSCPNI-UHFFFAOYSA-N
cas number: 479-45-8
inchi: InChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3

calciet
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: VTYYLEPIZMXCLO-UHFFFAOYSA-L
cas number: 63660-97-9
cas number: 146358-95-4
cas number: 13397-26-7
cas number: 114453-69-9
cas number: 172307-27-6
cas number: 1317-65-3
cas number: 39454-55-2
cas number: 471-34-1
cas number: 72608-12-9
cas number: 137803-94-2
cas number: 180616-31-3
cas number: 71060-88-3
cas number: 166516-01-4
cas number: 251358-28-8
cas number: 60083-79-6
smiles: C(=O)([O-])[O-].[Ca+2]
iupac name: Calcium carbonate @en
notation: CaCO3
notation: calct
alternative label: calciumcarbonaat
inchi: InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
broader: CHEMONTID_0001521
formula: CCaO3
pubchem: 10112
in scheme: Conceptschema Chemische Stoffen

4-cyaan-1,2,3,4-tetrahydro-alfamethyl-1-naftaleenacetonitril
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CC(C#N)C1CCC(C2=CC=CC=C12)C#N
notation: 4CN1234T4HaC
in scheme: Conceptschema Chemische Stoffen
pubchem: 154379
broader: CHEMONTID_0000048
formula: C14H14N2
inchikey: FDTQTOKRWQJRAC-UHFFFAOYSA-N
cas number: 57964-39-3
iupac name: 4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile @en
inchi: InChI=1S/C14H14N2/c1-10(8-15)12-7-6-11(9-16)13-4-2-3-5-14(12)13/h2-5,10-12H,6-7H2,1H3

methacrylzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C4H6O2
cas number: 115708-68-4
cas number: 79-41-4
cas number: 463311-95-7
broader: CHEMONTID_0001205
smiles: CC(=C)C(=O)O
inchi: InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
pubchem: 4093
inchikey: CERQOIWHTDAKMF-UHFFFAOYSA-N
notation: metaczr
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-methylprop-2-enoic acid @en

desacetycefapirine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 38115-21-8
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000173
formula: C15H15N3O5S2
iupac name: (6R,7R)-3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid @en
inchikey: IOFHZPVEQXTSQW-BXUZGUMPSA-N
inchi: InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)/t11-,14-/m1/s1
pubchem: 162287

pentachlooranisol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C7H3Cl5O
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000138
inchikey: BBABSCYTNHOKOG-UHFFFAOYSA-N
inchi: InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
iupac name: 1,2,3,4,5-pentachloro-6-methoxybenzene @en
cas number: 1825-21-4
pubchem: 15767
notation: PeClansl
smiles: COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl

2,3-dimethylnaftaleen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CC1=CC2=CC=CC=C2C=C1C
inchikey: WWGUMAYGTYQSGA-UHFFFAOYSA-N
cas number: 581-40-8
in scheme: Conceptschema Chemische Stoffen
formula: C12H12
inchi: InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3
iupac name: 2,3-Dimethylnaphthalene @en
broader: CHEMONTID_0000023
notation: 23DC1yNaf
pubchem: 11386

thiamfenicol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide @en
pubchem: 27200
cas number: 15318-45-3
cas number: 90-91-5
cas number: 32430-04-9
cas number: 3785-14-6
cas number: 14786-51-7
inchikey: OTVAEFIXJLOWRX-NXEZZACHSA-N
broader: CHEMONTID_0004233
formula: C12H15Cl2NO5S
in scheme: Conceptschema Chemische Stoffen

thiabendazole
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: tabdzl
formula: C10H7N3S
in scheme: Conceptschema Chemische Stoffen
cas number: 145316-67-2
cas number: 94977-06-7
cas number: 8028-27-1
cas number: 98002-42-7
cas number: 123242-33-1
cas number: 8018-04-0
cas number: 148-79-8
cas number: 8027-10-9
inchikey: WJCNZQLZVWNLKY-UHFFFAOYSA-N
iupac name: 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE @en
smiles: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
pubchem: 5430
broader: CHEMONTID_0000294
inchi: InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
alternative label: thiabendazol

perfluor-2-methoxyazijnzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: IHYMJUVQLSNPPP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C3HF5O3
iupac name: 2,2-difluoro-2-(trifluoromethoxy)acetic acid @en
smiles: C(=O)(C(OC(F)(F)F)(F)F)O
cas number: 674-13-5
inchi: InChI=1S/C3HF5O3/c4-2(5,1(9)10)11-3(6,7)8/h(H,9,10)
pubchem: 5125273
broader: CHEMONTID_0003000
notation: PFMOAA

2,2',3,3',4,5',6-heptachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 52663-70-4
inchi: InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)12(5)19)8-10(17)6(14)3-7(15)11(8)18/h1-3H
inchikey: CXOYNJAHPUASHN-UHFFFAOYSA-N
iupac name: 1,2,4,5-tetrachloro-3-(2,3,4-trichlorophenyl)benzene @en
formula: C12H3Cl7
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030
notation: PCB177
pubchem: 40477

cyromazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 66215-27-8
pubchem: 47866
broader: CHEMONTID_0003080
in scheme: Conceptschema Chemische Stoffen
smiles: C1CC1NC2=NC(=NC(=N2)N)N
formula: C6H10N6
iupac name: N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine @en
inchi: InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)
notation: cyrmzne
inchikey: LVQDKIWDGQRHTE-UHFFFAOYSA-N

tripropylfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0003460
formula: C9H21O4P
cas number: 513-08-6
inchikey: RXPQRKFMDQNODS-UHFFFAOYSA-N
pubchem: 10546
smiles: CCCOP(=O)(OCCC)OCCC
notation: TC3yPO4
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3
iupac name: Tripropyl phosphate @en

1,4-butaandiamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: KIDHWZJUCRJVML-UHFFFAOYSA-N
notation: 14C4aDAe
cas number: 1071-98-3
cas number: 110-60-1
iupac name: ['butane-1,4-diamine', 'but-2-ynedinitrile'] @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 1045
formula: C4H12N2
broader: CHEMONTID_0000469
smiles: C(CCN)CN
inchi: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2

goud 199
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000426
pubchem: 167085
inchikey: PCHJSUWPFVWCPO-NJFSPNSNSA-N
iupac name: gold-199 @en
formula: Au
inchi: InChI=1S/Au/i1+2
in scheme: Conceptschema Chemische Stoffen
cas number: 14391-11-8
notation: Au199
smiles: [Au]

norflurazon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3
formula: C12H9ClF3N3O
cas number: 27314-13-2
broader: CHEMONTID_0004551
pubchem: 33775
iupac name: 4-chloro-5-methylamino-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one @en
in scheme: Conceptschema Chemische Stoffen
inchikey: NVGOPFQZYCNLDU-UHFFFAOYSA-N
notation: norfrzn

plutonium 239
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: [Pu]
pubchem: 61782
cas number: 15117-48-3
cas number: 97918-67-7
formula: Pu
iupac name: plutonium-239 @en
broader: CHEMONTID_0000430
inchi: InChI=1S/Pu/i1-5
in scheme: Conceptschema Chemische Stoffen
inchikey: OYEHPCDNVJXUIW-FTXFMUIASA-N
notation: Pu239

fluthiacet-methyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate @en
broader: CHEMONTID_0004631
notation: flutcC1y
formula: C15H15ClFN3O3S2
inchikey: ZCNQYNHDVRPZIH-UHFFFAOYSA-N
pubchem: 93542
cas number: 117337-19-6
in scheme: Conceptschema Chemische Stoffen

tributylfosfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
alternative label: tri-n-butylfosfaat
iupac name: ['tributoxy-hydroxyphosphanium', 'Tributyl phosphate'] @en
inchi: InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
formula: C12H27O4P
notation: TC4yPO4
cas number: 126-73-8
cas number: 19824-61-4
cas number: 80094-39-9
cas number: 15158-85-7
smiles: CCCCOP(=O)(OCCCC)OCCCC
pubchem: 31357
inchikey: STCOOQWBFONSKY-UHFFFAOYSA-N
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen

2,3,4,7,8-pentachloordibenzofuraan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 57117-31-4
pubchem: 42128
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003029
alternative label: 2,3,4,7,8-pentachloordibenzofuraan (pecdf)
alternative label: 2,3,4,7,8-pentachloordibenzofuran
notation: PCDF114
iupac name: 2,3,4,7,8-PENTACHLORODIBENZOFURAN @en
is referenced by: LUC VI 002
formula: C12H3Cl5O
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
inchikey: OGBQILNBLMPPDP-UHFFFAOYSA-N
inchi: InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H

pyreen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001851
is referenced by: LUC VI 001
in scheme: Conceptschema Chemische Stoffen
formula: C16H10
notation: Pyr
cas number: 76165-23-6
cas number: 129-00-0
inchikey: BBEAQIROQSPTKN-UHFFFAOYSA-N
iupac name: PYRENE @en
inchi: InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
smiles: C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2
pubchem: 31423

chlorofyl-a
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: ATNHDLDRLWWWCB-ZPPYAHEGSA-M
inchi: InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32?,33?,37-,41-,51?;/m0./s1
notation: CHLFa
iupac name: magnesium;methyl (21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate @en
broader: CHEMONTID_0000716
in scheme: Conceptschema Chemische Stoffen
pubchem: 5280772
formula: C55H72MgN4O5
cas number: 479-61-8

difenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 56481-93-7
cas number: 81846-81-3
cas number: 72931-46-5
cas number: 92-52-4
cas number: 68409-73-4
iupac name: Phenylbenzene @en
formula: C12H10
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
broader: CHEMONTID_0000041
notation: biFy
smiles: C1=CC=C(C=C1)C2=CC=CC=C2
pubchem: 7095
alternative label: bifenyl
inchikey: ZUOUZKKEUPVFJK-UHFFFAOYSA-N

butylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: n-butylbenzeen
broader: CHEMONTID_0002279
inchi: InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
pubchem: 7705
in scheme: Conceptschema Chemische Stoffen
notation: C4yBen
smiles: CCCCC1=CC=CC=C1
cas number: 104-51-8
cas number: 74296-32-5
formula: C10H14
inchikey: OCKPCBLVNKHBMX-UHFFFAOYSA-N
iupac name: Butylbenzene @en

betaxolol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: betxll
pubchem: 2369
broader: CHEMONTID_0000139
formula: C18H29NO3
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O
inchi: InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
cas number: 63659-18-7
iupac name: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
inchikey: NWIUTZDMDHAVTP-UHFFFAOYSA-N

neon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 36826-26-3
cas number: 7440-01-9
cas number: 12794-67-1
cas number: 71928-15-9
inchi: InChI=1S/Ne
in scheme: Conceptschema Chemische Stoffen
smiles: [Ne]
pubchem: 23935
broader: CHEMONTID_0000433
iupac name: NEON @en
inchikey: GKAOGPIIYCISHV-UHFFFAOYSA-N
formula: Ne
notation: Ne

2,3-xylidine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0004210
cas number: 1300-73-8
cas number: 87-59-2
pubchem: 6893
notation: 23xyldne
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,3-Dimethylaniline @en
inchi: InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3
formula: C8H11N
inchikey: VVAKEQGKZNKUSU-UHFFFAOYSA-N
smiles: CC1=C(C(=CC=C1)N)C

amfetamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 300-62-9
notation: amfAe
inchikey: KWTSXDURSIMDCE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
iupac name: 1-phenylpropan-2-amine @en
broader: CHEMONTID_0000188
pubchem: 3007
formula: C9H13N
smiles: CC(CC1=CC=CC=C1)N

monolinuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CN(C(=O)NC1=CC=C(C=C1)Cl)OC
formula: C9H11ClN2O2
cas number: 56449-36-6
cas number: 1746-81-2
iupac name: 3-(4-Chlorophenyl)-1-methoxy-1-methylurea @en
pubchem: 15629
broader: CHEMONTID_0001935
inchikey: LKJPSUCKSLORMF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
notation: Mlnrn

delta-hexachloorcyclohexaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 319-86-8
iupac name: (1r,2R,3S,4s,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane @en
broader: CHEMONTID_0004485
inchikey: JLYXXMFPNIAWKQ-GPIVLXJGSA-N
notation: dHCH
alternative label: δ-lindaan
alternative label: δ-hexachlorocyclohexaan
formula: C6H6Cl6
inchi: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5-,6-
in scheme: Conceptschema Chemische Stoffen

chinonamid
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: ZIEWAMOXCOLNSJ-UHFFFAOYSA-N
notation: chinnmd
broader: CHEMONTID_0000153
formula: C12H6Cl3NO3
pubchem: 94382
iupac name: 2,2-dichloro-N-(3-chloro-1,4-dioxonaphthalen-2-yl)acetamide @en
inchi: InChI=1S/C12H6Cl3NO3/c13-7-8(16-12(19)11(14)15)10(18)6-4-2-1-3-5(6)9(7)17/h1-4,11H,(H,16,19)
in scheme: Conceptschema Chemische Stoffen
cas number: 27541-88-4

itraconazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: VHVPQPYKVGDNFY-ZPGVKDDISA-N
iupac name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one @en
cas number: 84625-61-6
cas number: 84604-65-9
broader: CHEMONTID_0001984
formula: C35H38Cl2N8O4
pubchem: 55283
in scheme: Conceptschema Chemische Stoffen

1-butyl 2-octylbenzeen-1,2-dicarboxylaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0001350
formula: C20H30O4
in scheme: Conceptschema Chemische Stoffen
pubchem: 66540
inchi: InChI=1S/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3
cas number: 84-78-6
inchikey: MURWRBWZIMXKGC-UHFFFAOYSA-N
iupac name: O2-butyl O1-octyl benzene-1,2-dicarboxylate @en
smiles: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
notation: 1C4y2C8yBenz

flutriafol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: JWUCHKBSVLQQCO-UHFFFAOYSA-N
inchi: InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2
iupac name: 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol @en
notation: fluTafl
cas number: 87676-93-5
cas number: 76674-21-0
formula: C16H13F2N3O
pubchem: 91727
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen

1,2-benzisothiazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C7H5NS
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C2C(=C1)C=NS2
inchikey: CSNIZNHTOVFARY-UHFFFAOYSA-N
inchi: InChI=1S/C7H5NS/c1-2-4-7-6(3-1)5-8-9-7/h1-5H
broader: CHEMONTID_0000311
notation: 12Benitazl
cas number: 272-16-2
pubchem: 9225
iupac name: 1,2-benzothiazole @en

trioctyltin (kation)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0004072
in scheme: Conceptschema Chemische Stoffen
notation: TC8ySn
formula: C24H51Sn
smiles: CCCCCCCC[Sn](CCCCCCCC)CCCCCCCC
pubchem: 5360423
inchikey: XMHKTINRBAKEDS-UHFFFAOYSA-N
cas number: 869-59-0
iupac name: Tri-n-octyltin Hydride @en
inchi: InChI=1S/3C8H17.Sn/c3*1-3-5-7-8-6-4-2;/h3*1,3-8H2,2H3;

clopidol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 68821-99-8
cas number: 11116-46-4
cas number: 2971-90-6
formula: C7H7Cl2NO
smiles: CC1=C(C(=O)C(=C(N1)C)Cl)Cl
iupac name: 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one @en
broader: CHEMONTID_0003971
inchi: InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)
inchikey: ZDPIZLCVJAAHHR-UHFFFAOYSA-N
pubchem: 18087
notation: clopdl

prothoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 16774
inchi: InChI=1S/C9H20NO3PS2/c1-5-12-14(15,13-6-2)16-7-9(11)10-8(3)4/h8H,5-7H2,1-4H3,(H,10,11)
smiles: CCOP(=S)(OCC)SCC(=O)NC(C)C
formula: C9H20NO3PS2
inchikey: QTXHFDHVLBDJIO-UHFFFAOYSA-N
cas number: 2275-18-5
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-diethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide @en
notation: protat
broader: CHEMONTID_0004164

2,2-dichloorpropionzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003000
iupac name: 2,2-Dichloropropanoic acid @en
cas number: 75-99-0
smiles: CC(C(=O)O)(Cl)Cl
pubchem: 6418
inchi: InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
formula: C3H4Cl2O2
inchikey: NDUPDOJHUQKPAG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: 22DClppozr

technetium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: GKLVYJBZJHMRIY-UHFFFAOYSA-N
cas number: 7440-26-8
pubchem: 23957
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
formula: Tc
inchi: InChI=1S/Tc
iupac name: technetium @en
smiles: [Tc]
notation: Tc

bromaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: BrO3-
inchikey: SXDBWCPKPHAZSM-UHFFFAOYSA-M
notation: BrO3
cas number: 15541-45-4
smiles: [O-]Br(=O)=O
broader: CHEMONTID_0001048
pubchem: 84979
inchi: InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)/p-1
iupac name: bromate @en

asulam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C8H10N2O4S
smiles: COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
inchi: InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)
in scheme: Conceptschema Chemische Stoffen
inchikey: VGPYEHKOIGNJKV-UHFFFAOYSA-N
pubchem: 18752
cas number: 3337-71-1
iupac name: methyl N-(4-aminophenyl)sulfonylcarbamate @en
broader: CHEMONTID_0001925
notation: aslm

transfluthrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 656612
inchikey: DDVNRFNDOPPVQJ-HQJQHLMTSA-N
formula: C15H12Cl2F4O2
iupac name: (2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
broader: CHEMONTID_0001097
cas number: 118712-89-3
notation: tftn
in scheme: Conceptschema Chemische Stoffen

triazamaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: Tazmt
inchi: InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3
pubchem: 86306
iupac name: ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate @en
formula: C13H22N4O3S
in scheme: Conceptschema Chemische Stoffen
cas number: 110895-43-7
cas number: 112143-82-5
broader: CHEMONTID_0004631
inchikey: NKNFWVNSBIXGLL-UHFFFAOYSA-N
smiles: CCOC(=O)CSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

isoproturon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC(C)C1=CC=C(C=C1)NC(=O)N(C)C
iupac name: 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea @en
inchi: InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
cas number: 34123-59-6
pubchem: 36679
notation: iptrn
formula: C12H18N2O
inchikey: PUIYMUZLKQOUOZ-UHFFFAOYSA-N

levofloxacine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 3033924
inchi: InChI=1S/2C18H20FN3O4.H2O/c2*1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h2*7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H2/t2*10-;/m00./s1
inchikey: SUIQUYDRLGGZOL-RCWTXCDDSA-N
iupac name: (2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrate @en
formula: C36H42F2N6O9
cas number: 100986-85-4
cas number: 138199-71-0
notation: levfxcne
broader: CHEMONTID_0002552

(+)-delta-cadineen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC1=CC2C(CCC(=C2CC1)C)C(C)C
notation: dcadnn
inchi: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3
iupac name: 4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene @en
broader: CHEMONTID_0001550
in scheme: Conceptschema Chemische Stoffen
cas number: 483-76-1
inchikey: FUCYIEXQVQJBKY-UHFFFAOYSA-N
formula: C15H24
pubchem: 10223

natriumhypochloriet pentahydraat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 10022-70-5
broader: CHEMONTID_0000640
in scheme: Conceptschema Chemische Stoffen
formula: ClH10NaO6
inchi: InChI=1S/ClO.Na.5H2O/c1-2;;;;;;/h;;5*1H2/q-1;+1;;;;;
pubchem: 61432
notation: NaClO5H2O
iupac name: Sodium hypochlorite pentahydrate @en
inchikey: FHKLOBNGYGFRSF-UHFFFAOYSA-N
smiles: O.O.O.O.O.[O-]Cl.[Na+]

diethylzuur pyrofosfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCOP(=O)(O)OP(=O)(O)OCC
in scheme: Conceptschema Chemische Stoffen
formula: C4H12O7P2
cas number: 1707-71-7
cas number: 27194-63-4
iupac name: (ethoxy-hydroxyphosphoryl) ethyl hydrogen phosphate @en
broader: CHEMONTID_0001804
pubchem: 117947
notation: DC2yzrprPO4
inchi: InChI=1S/C4H12O7P2/c1-3-9-12(5,6)11-13(7,8)10-4-2/h3-4H2,1-2H3,(H,5,6)(H,7,8)
inchikey: RUZMUTWCUZLWQU-UHFFFAOYSA-N

flumioxazin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001437
inchikey: FOUWCSDKDDHKQP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C19H15FN2O4
cas number: 141490-50-8
cas number: 103361-09-7
inchi: InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2
iupac name: 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione @en
notation: flumoxzn
pubchem: 92425

pyrethrin I
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 121-21-1
notation: pyrtnI
formula: C21H28O3
broader: CHEMONTID_0001724
inchikey: ROVGZAWFACYCSP-VUMXUWRFSA-N
inchi: InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1
iupac name: [(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
pubchem: 5281045
alternative label: pyrethrin i
in scheme: Conceptschema Chemische Stoffen

prochloraz
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 67747-09-5
cas number: 68444-81-5
formula: C15H16Cl3N3O2
inchikey: TVLSRXXIMLFWEO-UHFFFAOYSA-N
broader: CHEMONTID_0002341
pubchem: 73665
iupac name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide @en
notation: proClaz

trans-10,11-dihydroxy-10,11-dihydrocarbazepine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 114725
formula: C15H14N2O3
inchikey: PRGQOPPDPVELEG-KBPBESRZSA-N
iupac name: (5S,6S)-5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide @en
cas number: 58955-93-4
broader: CHEMONTID_0000320
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m0/s1
notation: t1011DHOx101

nitrilotriazijnzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: C(C(=O)O)N(CC(=O)O)CC(=O)O
cas number: 26627-44-1
cas number: 80751-51-5
cas number: 139-13-9
cas number: 49784-42-1
cas number: 26627-45-2
inchi: InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
alternative label: nitrilotriazijnzuur (NTA)
notation: NTA
pubchem: 8758
inchikey: MGFYIUFZLHCRTH-UHFFFAOYSA-N
iupac name: 2-(bis(carboxymethyl)amino)acetic acid @en
broader: CHEMONTID_0002404
formula: C6H9NO6

flumequine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O
cas number: 42835-25-6
cas number: 143984-63-8
inchikey: DPSPPJIUMHPXMA-UHFFFAOYSA-N
inchi: InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002552
formula: C14H12FNO3
notation: flumqne
iupac name: 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid @en
pubchem: 3374

propylacetaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: Propyl acetate @en
cas number: 109-60-4
notation: C3yactt
inchi: InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
inchikey: YKYONYBAUNKHLG-UHFFFAOYSA-N
smiles: CCCOC(=O)C
in scheme: Conceptschema Chemische Stoffen
pubchem: 7997
broader: CHEMONTID_0001238
formula: C5H10O2

polyhexamethyleenbiguanide hydrochloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C16H35ClN10
in scheme: Conceptschema Chemische Stoffen
cas number: 27083-27-8
inchi: InChI=1S/C10H18N8.C6H16N2.ClH/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12;7-5-3-1-2-4-6-8;/h1-6H2,(H3,13,15,17)(H3,14,16,18);1-8H2;1H
broader: CHEMONTID_0000375
notation: PHMBHCl
pubchem: 168654
smiles: C(CCCN)CCN.C(CCCN=C(N)NC#N)CCN=C(N)NC#N.Cl
inchikey: GGBZCCPSKRKGQB-UHFFFAOYSA-N
iupac name: 2-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-1-cyanoguanidine; hexane-1,6-diamine; hydrochloride @en

2,2'-bibenzothiazool
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: 2-(1,3-benzothiazol-2-yl)-1,3-benzothiazole @en
cas number: 4271-09-4
formula: C14H8N2S2
pubchem: 350151
notation: 22bibenztazl
in scheme: Conceptschema Chemische Stoffen
inchikey: YJVXQQKAUCYQIP-UHFFFAOYSA-N
broader: CHEMONTID_0000311
smiles: C1=CC=C2C(=C1)N=C(S2)C3=NC4=CC=CC=C4S3
inchi: InChI=1S/C14H8N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8H

1,3-dihydroxybenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: GHMLBKRAJCXXBS-UHFFFAOYSA-N
broader: CHEMONTID_0000137
cas number: 26982-54-7
cas number: 108-46-3
notation: 13DHOxBen
smiles: C1=CC(=CC(=C1)O)O
iupac name: benzene-1,3-diol @en
inchi: InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
in scheme: Conceptschema Chemische Stoffen
formula: C6H6O2
pubchem: 5054

krypton
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: Kr
cas number: 50938-65-3
cas number: 7439-90-9
broader: CHEMONTID_0000433
inchikey: DNNSSWSSYDEUBZ-UHFFFAOYSA-N
iupac name: KRYPTON @en
formula: Kr
pubchem: 5416
smiles: [Kr]
inchi: InChI=1S/Kr
in scheme: Conceptschema Chemische Stoffen

2,3-dimethylquinoline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C11H11N
iupac name: 2,3-DIMETHYLQUINOLINE @en
inchi: InChI=1S/C11H11N/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-7H,1-2H3
broader: CHEMONTID_0001253
inchikey: FBOFHVFMPNNIKN-UHFFFAOYSA-N
cas number: 1721-89-7
notation: 23DC1yqnlne
in scheme: Conceptschema Chemische Stoffen
pubchem: 15591
smiles: CC1=CC2=CC=CC=C2N=C1C

3-chloor-2-nitroaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 59483-54-4
pubchem: 101068
in scheme: Conceptschema Chemische Stoffen
notation: 3Cl2NO2An
formula: C6H5ClN2O2
inchi: InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2
iupac name: 3-Chloro-2-nitroaniline @en
smiles: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])N
inchikey: YADOEPHJIBKBCN-UHFFFAOYSA-N
broader: CHEMONTID_0000036

1-hexeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: LIKMAJRDDDTEIG-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 005
is referenced by: LUC IV 000
smiles: CCCCC=C
broader: CHEMONTID_0004476
cas number: 68526-99-8
cas number: 68783-15-3
cas number: 33004-04-5
cas number: 592-41-6
cas number: 153522-12-4
comment: VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'
formula: C6H12
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
pubchem: 11597
iupac name: hex-1-ene @en

desisopropylatrazine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: IVENSCMCQBJAKW-UHFFFAOYSA-N
notation: desiC3yatzne
formula: C5H8ClN5
broader: CHEMONTID_0004734
smiles: CCNC1=NC(=NC(=N1)N)Cl
pubchem: 13878
inchi: InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)
cas number: 1007-28-9
iupac name: 6-Chloro-N-ethyl-1,3,5-triazine-2,4-diamine @en
in scheme: Conceptschema Chemische Stoffen

ipconazole
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001565
inchi: InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3
iupac name: 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol @en
in scheme: Conceptschema Chemische Stoffen
alternative label: ipconazool
notation: ipcnzl
formula: C18H24ClN3O
pubchem: 86211
cas number: 125225-28-7
inchikey: QTYCMDBMOLSEAM-UHFFFAOYSA-N

4-amino-2,6-dinitrotolueen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 19406-51-0
pubchem: 29574
in scheme: Conceptschema Chemische Stoffen
formula: C7H7N3O4
iupac name: 4-methyl-3,5-dinitroaniline @en
inchi: InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3
smiles: CC1=C(C=C(C=C1[N+](=O)[O-])N)[N+](=O)[O-]
broader: CHEMONTID_0003969
notation: 4Ao26DNO2Tol
inchikey: KQRJATLINVYHEZ-UHFFFAOYSA-N

5,6,7,8-tetrahydro-3-methylquinoline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h6-7H,2-5H2,1H3
inchikey: GMMKZUPOLVXWFF-UHFFFAOYSA-N
pubchem: 120028
iupac name: 3-methyl-5,6,7,8-tetrahydroquinoline @en
notation: 5678T4H3C1yq
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001715
formula: C10H13N
cas number: 28712-62-1
smiles: CC1=CC2=C(CCCC2)N=C1

dichloorbroommethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: CHBrCl2
broader: CHEMONTID_0004160
alternative label: broomdichloormethaan
inchikey: FMWLUWPQPKEARP-UHFFFAOYSA-N
notation: DClBrC1a
inchi: InChI=1S/CHBrCl2/c2-1(3)4/h1H
smiles: C(Cl)(Cl)Br
in scheme: Conceptschema Chemische Stoffen
iupac name: bromo-dichloromethane @en
cas number: 75-27-4
pubchem: 6359

n-fenylformamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C1=CC=C(C=C1)NC=O
alternative label: N-fenylformamide
formula: C7H7NO
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
cas number: 103-70-8
notation: NFYfAd
inchi: InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
iupac name: N-Phenylformamide @en
pubchem: 7671
inchikey: DYDNPESBYVVLBO-UHFFFAOYSA-N

2,6-dichloorfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2,6-Dichlorophenol @en
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
inchikey: HOLHYSJJBXSLMV-UHFFFAOYSA-N
notation: 26DClFol
cas number: 87-65-0
formula: C6H4Cl2O
pubchem: 6899
inchi: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
smiles: C1=CC(=C(C(=C1)Cl)O)Cl

propargylalcohol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C3H4O
broader: CHEMONTID_0004478
inchikey: TVDSBUOJIPERQY-UHFFFAOYSA-N
notation: propgachl
inchi: InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2
smiles: C#CCO
iupac name: Prop-2-yn-1-ol @en
cas number: 107-19-7
in scheme: Conceptschema Chemische Stoffen
pubchem: 7859

praziquantel
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 4891
cas number: 57452-31-0
cas number: 55268-74-1
cas number: 135526-78-2
formula: C19H24N2O2
notation: prazqtl
inchikey: FSVJFNAIGNNGKK-UHFFFAOYSA-N
iupac name: 2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a]isoquinolin-4-one @en
broader: CHEMONTID_0002955
inchi: InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2
in scheme: Conceptschema Chemische Stoffen

trifloxystrobin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 221007-60-9
cas number: 141517-21-7
pubchem: 9578570
inchikey: ONCZDRURRATYFI-QTCHDTBASA-N
notation: Tfxsbn
broader: CHEMONTID_0004551
in scheme: Conceptschema Chemische Stoffen
formula: C20H19F3N2O4
iupac name: ['methyl (2Z)-2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate', 'methyl 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate'] @en
inchi: InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18-

lood 210
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 14255-04-0
notation: Pb210
pubchem: 6328175
inchikey: WABPQHHGFIMREM-AKLPVKDBSA-N
smiles: [Pb]
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Pb/i1+3
iupac name: lead-210 @en
formula: Pb
broader: CHEMONTID_0000427

cis-1,2-dichloorpropeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0002863
alternative label: trans-1,3-dichloorpropeen
notation: t13DClC3e
notation: c12DClC3e
cas number: 8022-76-2
cas number: 68525-58-6
cas number: 6923-20-2
cas number: 10061-02-6
smiles: C(C=CCl)Cl
pubchem: 24726
inchi: InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
inchikey: UOORRWUZONOOLO-OWOJBTEDSA-N
iupac name: ['(E)-1,3-dichloroprop-1-ene', '1,3-dichloroprop-1-ene'] @en
formula: C3H4Cl2
in scheme: Conceptschema Chemische Stoffen

N-(carboxymethyl)-N,N-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: OKOCIUJVPQKDLL-UHFFFAOYSA-N
alternative label: n-(carboxymethyl)-n,n-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide
formula: C15H19F13N2O4S
cas number: 34455-29-3
broader: CHEMONTID_0002404
in scheme: Conceptschema Chemische Stoffen
notation: Capstone B (CDPOS)
pubchem: 118691

hexachloor-biclyclo(2,2,1)-2,5-heptadieen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 28680-44-6
notation: HxClbcc22125
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002863
pubchem: 3036943
inchi: InChI=1S/C7H2Cl6/c8-2-3(9)7(13)1-6(2,12)4(10)5(7)11/h1H2
smiles: C1C2(C(=C(C1(C(=C2Cl)Cl)Cl)Cl)Cl)Cl
iupac name: 1,2,3,4,5,6-hexachlorobicyclo[2.2.1]hepta-2,5-diene @en
formula: C7H2Cl6
inchikey: ZKRSTHSWOFIHMZ-UHFFFAOYSA-N

thiofanaat-methyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: COC(=O)N=C(NC1=CC=CC=C1NC(=NC(=O)OC)S)S
iupac name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate @en
notation: tofnC1y
cas number: 50814-12-5
cas number: 23564-05-8
in scheme: Conceptschema Chemische Stoffen
inchikey: QGHREAKMXXNCOA-UHFFFAOYSA-N
formula: C12H14N4O4S2
inchi: InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)
pubchem: 3085
broader: CHEMONTID_0002279

butalbital
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
pubchem: 2481
inchikey: UZVHFVZFNXBMQJ-UHFFFAOYSA-N
broader: CHEMONTID_0000292
iupac name: 5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione @en
in scheme: Conceptschema Chemische Stoffen
cas number: 77-26-9
notation: butbtl
smiles: CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C
formula: C11H16N2O3

benzo(c)fenantreen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 195-19-7
inchi: InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H
pubchem: 9136
formula: C18H12
notation: BcFen
smiles: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3
in scheme: Conceptschema Chemische Stoffen
inchikey: TUAHORSUHVUKBD-UHFFFAOYSA-N
broader: CHEMONTID_0000025
iupac name: Benzo[c]phenanthrene @en

swep
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004714
cas number: 1918-18-9
notation: swep
smiles: COC(=O)NC1=CC(=C(C=C1)Cl)Cl
iupac name: Methyl N-(3,4-dichlorophenyl)carbamate @en
inchi: InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)
pubchem: 15969
inchikey: WOZQBERUBLYCEG-UHFFFAOYSA-N
formula: C8H7Cl2NO2

squaleen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: YYGNTYWPHWGJRM-AAJYLUCBSA-N
cas number: 7683-64-9
cas number: 111-02-4
cas number: 94016-35-0
notation: squaln
formula: C30H50
iupac name: ['2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene', '(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene', '(14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene'] @en
inchi: InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
pubchem: 638072
broader: CHEMONTID_0001553
in scheme: Conceptschema Chemische Stoffen

ethylmethacrylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 97-63-2
cas number: 187170-02-1
cas number: 128440-92-6
cas number: 61584-93-8
cas number: 137431-11-9
cas number: 179799-95-2
cas number: 133775-64-1
cas number: 9003-42-3
pubchem: 7343
formula: C6H10O2
alternative label: ethylmetacrylaat
iupac name: ethyl 2-methylprop-2-enoate @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003626
smiles: CCOC(=O)C(=C)C
inchi: InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3
notation: C2ymtclt
inchikey: SUPCQIBBMFXVTL-UHFFFAOYSA-N

2,5-dichloortolueen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 1,4-dichloro-2-methylbenzene @en
cas number: 19398-61-9
inchi: InChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
formula: C7H6Cl2
pubchem: 29572
inchikey: KFAKZJUYBOYVKA-UHFFFAOYSA-N
notation: 25DClTol
smiles: CC1=C(C=CC(=C1)Cl)Cl

perfluor-n-undecaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C11HF21O2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoic acid @en
alternative label: perfluorundecaanzuur
alternative label: perfluorundecaanzuur (pfunda)
alternative label: perfluor-n-undecaanzuur (pfunda)
cas number: 2058-94-8
broader: CHEMONTID_0003962
pubchem: 77222
inchikey: SIDINRCMMRKXGQ-UHFFFAOYSA-N
notation: PFUdA
notation: PFUnDA

2-methoxyethanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 193008-24-1
cas number: 72664-19-8
cas number: 189209-93-6
cas number: 138753-86-3
cas number: 207799-14-2
cas number: 102868-77-9
cas number: 134919-42-9
cas number: 163733-28-6
cas number: 57244-93-6
cas number: 158360-78-2
cas number: 86002-19-9
cas number: 212969-32-9
cas number: 54386-07-1
cas number: 69592-91-2
cas number: 142172-77-8
cas number: 163294-10-8
cas number: 104841-59-0
cas number: 166441-82-3
cas number: 195970-98-0
cas number: 64543-87-9
cas number: 9004-74-4
cas number: 165338-17-0
cas number: 109-86-4
cas number: 146162-92-7
cas number: 154701-70-9
cas number: 91826-72-1
cas number: 95507-78-1
cas number: 126966-17-4
cas number: 95507-80-5
cas number: 12623-96-0
cas number: 77102-87-5
cas number: 187523-66-6
cas number: 41396-14-9
cas number: 185250-24-2
cas number: 154885-26-4
cas number: 162582-19-6
cas number: 178613-33-7
cas number: 216693-45-7
iupac name: 2-Methoxyethanol @en
formula: C3H8O2
inchikey: XNWFRZJHXBZDAG-UHFFFAOYSA-N
is referenced by: LUC IV 003
is referenced by: LUC IV 000
is referenced by: LUC IV 012
inchi: InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
comment: VLAR II bijl. 4.4.2
notation: 2C1oxC2ol
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001167
smiles: COCCO
pubchem: 8019

diglycidyl resorcinol ether (dgre)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2
pubchem: 7586
smiles: C1C(O1)COC2=CC(=CC=C2)OCC3CO3
inchikey: WPYCRFCQABTEKC-UHFFFAOYSA-N
broader: CHEMONTID_0002341
alternative label: diglycidyl resorcinol ether (DGRE)
cas number: 168331-52-0
cas number: 101-90-6
formula: C12H14O4
in scheme: Conceptschema Chemische Stoffen
notation: DGRE
iupac name: 2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane @en

zirkonium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
is referenced by: CMA 2 I B.1
is referenced by: WAC III B 010
cas number: 141631-77-8
cas number: 7440-67-7
cas number: 141631-75-6
cas number: 182260-46-4
cas number: 141631-74-5
inchikey: QCWXUUIWCKQGHC-UHFFFAOYSA-N
notation: Zr
iupac name: ZIRCONIUM @en
smiles: [Zr]
formula: Zr
inchi: InChI=1S/Zr
in scheme: Conceptschema Chemische Stoffen
pubchem: 23995
broader: CHEMONTID_0000426

gestodeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: gesdn
broader: CHEMONTID_0003570
iupac name: (17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 43249
smiles: CCC12CCC3C(C1C=CC2(C#C)O)CCC4=CC(=O)CCC34
formula: C21H26O2
inchikey: SIGSPDASOTUPFS-KQMXEUTGSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 60282-87-3
inchi: InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16?,17?,18?,19?,20?,21-/m0/s1

fluconazol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: RFHAOTPXVQNOHP-UHFFFAOYSA-N
pubchem: 3365
notation: flucnzl
formula: C13H12F2N6O
broader: CHEMONTID_0001100
inchi: InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
cas number: 86386-73-4
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol @en

tetradecaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0002949
inchi: InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
notation: C14azr
smiles: CCCCCCCCCCCCCC(=O)O
in scheme: Conceptschema Chemische Stoffen
pubchem: 11005
cas number: 45184-05-2
cas number: 544-63-8
cas number: 32112-52-0
inchikey: TUNFSRHWOTWDNC-UHFFFAOYSA-N
formula: C14H28O2
iupac name: Tetradecanoic acid @en

fludioxonil
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
cas number: 131341-86-1
pubchem: 86398
smiles: C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N
notation: fludoxnl
inchikey: MUJOIMFVNIBMKC-UHFFFAOYSA-N
formula: C12H6F2N2O2
iupac name: 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile @en

2-methylpropylhexadecanoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000324
inchi: InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h19H,4-18H2,1-3H3
pubchem: 66967
formula: C20H40O2
cas number: 110-34-9
notation: 2C1yC3yC16ao
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCC(=O)OCC(C)C
inchikey: OJIBJRXMHVZPLV-UHFFFAOYSA-N
iupac name: 2-Methylpropyl hexadecanoate @en

tetracosaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
cas number: 557-59-5
iupac name: Tetracosanoic acid @en
notation: C24azr
in scheme: Conceptschema Chemische Stoffen
inchikey: QZZGJDVWLFXDLK-UHFFFAOYSA-N
broader: CHEMONTID_0002950
pubchem: 11197
formula: C24H48O2

diclofenac, natrium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C14H10Cl2NNaO2
inchikey: KPHWPUGNDIVLNH-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+]
iupac name: sodium 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate @en
cas number: 15307-79-6
pubchem: 27194
inchi: InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1

monalide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CCCC(C)(C)C(=O)NC1=CC=C(C=C1)Cl
cas number: 7287-36-7
inchi: InChI=1S/C13H18ClNO/c1-4-9-13(2,3)12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)
formula: C13H18ClNO
inchikey: KXGYBSNVFXBPNO-UHFFFAOYSA-N
notation: monlde
iupac name: N-(4-Chlorophenyl)-2,2-dimethylpentanamide @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 23715
broader: CHEMONTID_0000285

sulfaminezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: H3NO3S
inchi: InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
inchikey: IIACRCGMVDHOTQ-UHFFFAOYSA-N
smiles: NS(=O)(=O)O
iupac name: Sulfamic acid @en
cas number: 5329-14-6
pubchem: 5987
broader: CHEMONTID_0000554
in scheme: Conceptschema Chemische Stoffen
notation: sulfAezr

2,2',5,5'-tetramethyl-1,1'-bifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 3075-84-1
formula: C16H18
notation: 2255T4C1y11b
iupac name: 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene @en
broader: CHEMONTID_0000041
pubchem: 137818
smiles: CC1=CC(=C(C=C1)C)C2=C(C=CC(=C2)C)C
inchikey: ZHTROMYSDSTCCE-UHFFFAOYSA-N
inchi: InChI=1S/C16H18/c1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3

strontium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7440-24-6
pubchem: 5359327
in scheme: Conceptschema Chemische Stoffen
inchikey: CIOAGBVUUVVLOB-UHFFFAOYSA-N
smiles: [Sr]
formula: Sr
broader: CHEMONTID_0000428
iupac name: STRONTIUM @en
notation: Sr
inchi: InChI=1S/Sr

azobenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1080-16-6
cas number: 103-33-3
cas number: 17082-12-1
formula: C12H10N2
in scheme: Conceptschema Chemische Stoffen
pubchem: 2272
broader: CHEMONTID_0003370
inchikey: DMLAVOWQYNRWNQ-UHFFFAOYSA-N
smiles: C1=CC=C(C=C1)N=NC2=CC=CC=C2
inchi: InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
iupac name: di(phenyl)diazene @en
notation: azBen

acrylamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 6579
iupac name: prop-2-enamide @en
inchikey: HRPVXLWXLXDGHG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C3H5NO
cas number: 79-06-1
cas number: 9003-05-8
inchi: InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
broader: CHEMONTID_0002484
notation: acAd
smiles: C=CC(=O)N

dibenzylftalaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: bis(phenylmethyl) benzene-1,2-dicarboxylate @en
cas number: 523-31-9
pubchem: 220773
notation: DbzFt
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C22H18O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2
broader: CHEMONTID_0001350
inchikey: UCVPKAZCQPRWAY-UHFFFAOYSA-N
formula: C22H18O4

3-chloor-2-methylaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 3Cl2C1yAn
smiles: CC1=C(C=CC=C1Cl)N
broader: CHEMONTID_0003964
iupac name: 3-Chloro-2-methylaniline @en
formula: C7H8ClN
inchi: InChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
in scheme: Conceptschema Chemische Stoffen
cas number: 87-60-5
pubchem: 6894
inchikey: ZUVPLKVDZNDZCM-UHFFFAOYSA-N

ftalimide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C8H5NO2
pubchem: 6809
inchikey: XKJCHHZQLQNZHY-UHFFFAOYSA-N
smiles: C1=CC=C2C(=C1)C(=O)NC2=O
broader: CHEMONTID_0004749
notation: ftalmde
inchi: InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
cas number: 85-41-6
iupac name: Isoindole-1,3-dione @en
in scheme: Conceptschema Chemische Stoffen

octylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 8164
smiles: CCCCCCCCOC(=O)C
cas number: 112-14-1
inchi: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
broader: CHEMONTID_0001722
formula: C10H20O2
notation: C8yactt
in scheme: Conceptschema Chemische Stoffen
inchikey: YLYBTZIQSIBWLI-UHFFFAOYSA-N
iupac name: Octyl acetate @en

valsartan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 60846
iupac name: (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid @en
notation: valstan
inchikey: ACWBQPMHZXGDFX-QFIPXVFZSA-N
cas number: 137862-53-4
inchi: InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
broader: CHEMONTID_0004310
formula: C24H29N5O3

tylosine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: WBPYTXDJUQJLPQ-VMXQISHHSA-N
cas number: 1401-69-0
pubchem: 5280440
iupac name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000282
notation: tylsne
formula: C46H77NO17
inchi: InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1

carbamazepine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: benzo[b][1]benzazepine-11-carboxamide @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 2554
inchikey: FFGPTBGBLSHEPO-UHFFFAOYSA-N
smiles: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N
inchi: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
cas number: 298-46-4
broader: CHEMONTID_0000320
notation: carbmzpne
formula: C15H12N2O

polyacrylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 39301-03-6
cas number: 88402-97-5
cas number: 83856-16-0
cas number: 25549-84-2
cas number: 162122-62-5
cas number: 65852-60-0
cas number: 87912-58-1
cas number: 74434-55-2
cas number: 183599-07-7
cas number: 124740-94-9
cas number: 88895-33-4
cas number: 67167-12-8
cas number: 87210-28-4
cas number: 65852-59-7
cas number: 7446-81-3
cas number: 72870-55-4
cas number: 136753-34-9
cas number: 8049-78-3
cas number: 100359-37-3
cas number: 95077-68-2
cas number: 105287-10-3
cas number: 9003-04-7
cas number: 170427-67-5
cas number: 114355-16-7
cas number: 76559-77-8
cas number: 56048-09-0
cas number: 9080-35-7
cas number: 199453-47-9
cas number: 39283-05-1
cas number: 123140-08-9
cas number: 75718-67-1
cas number: 126123-84-0
cas number: 129979-04-0
cas number: 135842-81-8
cas number: 28603-11-4
cas number: 113536-69-9
cas number: 77847-76-8
cas number: 44196-70-5
cas number: 63993-69-1
cas number: 25052-79-3
cas number: 9003-01-4
cas number: 64441-46-9
cas number: 67017-21-4
cas number: 138961-78-1
smiles: C=CC(=O)[O-].[Na+]
formula: C3H3NaO2
iupac name: sodium prop-2-enoate @en
notation: polaclt
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004451
inchikey: NNMHYFLPFNGQFZ-UHFFFAOYSA-M
pubchem: 24013
inchi: InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1

1,2,4-triazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: NSPMIYGKQJPBQR-UHFFFAOYSA-N
smiles: C1=NC=NN1
iupac name: 1H-1,2,4-Triazole @en
broader: CHEMONTID_0000099
cas number: 116421-29-5
cas number: 288-88-0
cas number: 288-89-1
cas number: 63598-71-0
cas number: 25167-73-1
cas number: 27236-77-7
notation: 124Tazl
inchi: InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
formula: C2H3N3
pubchem: 9257
in scheme: Conceptschema Chemische Stoffen

hexadecaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
inchikey: IPCSVZSSVZVIGE-UHFFFAOYSA-N
pubchem: 985
smiles: CCCCCCCCCCCCCCCC(=O)O
cas number: 67701-02-4
cas number: 212625-86-0
cas number: 57-10-3
cas number: 60605-23-4
cas number: 116860-99-2
cas number: 66321-94-6
formula: C16H32O2
notation: C16azr
iupac name: Hexadecanoic acid @en
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen

flurenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: GXAMYUGOODKVRM-UHFFFAOYSA-N
formula: C14H10O3
broader: CHEMONTID_0000020
in scheme: Conceptschema Chemische Stoffen
pubchem: 10087
inchi: InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)
notation: flurnl
smiles: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)O)O
iupac name: 9-Hydroxyfluorene-9-carboxylic acid @en
cas number: 467-69-6

2,5-dimethylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 25DC1yFol
inchi: InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,5-Dimethylphenol @en
formula: C8H10O
smiles: CC1=CC(=C(C=C1)C)O
inchikey: NKTOLZVEWDHZMU-UHFFFAOYSA-N
broader: CHEMONTID_0004215
cas number: 145929-31-3
cas number: 50356-12-2
cas number: 95-87-4
pubchem: 7267

glyceroltrioctanoaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 10850
cas number: 538-23-8
cas number: 114355-15-6
formula: C27H50O6
broader: CHEMONTID_0001135
inchi: InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
iupac name: 2,3-di(octanoyloxy)propyl octanoate @en
notation: glycrTocnat
in scheme: Conceptschema Chemische Stoffen
inchikey: VLPFTAMPNXLGLX-UHFFFAOYSA-N

(1S)-kamfer
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7?,10-/m1/s1
broader: CHEMONTID_0001564
cas number: 464-48-2
smiles: CC1(C2CCC1(C(=O)C2)C)C
inchikey: DSSYKIVIOFKYAU-OMNKOJBGSA-N
formula: C10H16O
pubchem: 10050
alternative label: (1s)-kamfer
in scheme: Conceptschema Chemische Stoffen
notation: 1skamfr
iupac name: (1S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one @en

merfos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C12H27PS3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
notation: merfs
formula: C12H27PS3
cas number: 150-50-5
pubchem: 9011
broader: CHEMONTID_0001438
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCSP(SCCCC)SCCCC
iupac name: tris(butylsulfanyl)phosphane @en
inchikey: KLAPGAOQRZTCBI-UHFFFAOYSA-N

triazoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C1=CC2=C(C=C1Cl)[N+](=NC(=N2)N3C=CN=C3)[O-]
in scheme: Conceptschema Chemische Stoffen
formula: C10H6ClN5O
inchikey: IQGKIPDJXCAMSM-UHFFFAOYSA-N
iupac name: 7-chloro-3-imidazol-1-yl-1-oxido-1,2,4-benzotriazin-1-ium @en
notation: TazO
cas number: 72459-58-6
broader: CHEMONTID_0004107
inchi: InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H
pubchem: 93422

1,1,1,2-tetrachloor-2-fluorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C(C(Cl)(Cl)Cl)(F)Cl
pubchem: 61104
in scheme: Conceptschema Chemische Stoffen
cas number: 354-11-0
iupac name: 1,1,1,2-Tetrachloro-2-fluoroethane @en
notation: HCFK121a
inchikey: SRCNPEKLEHSVCL-UHFFFAOYSA-N
inchi: InChI=1S/C2HCl4F/c3-1(7)2(4,5)6/h1H
broader: CHEMONTID_0001517
formula: C2HCl4F

farnesol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 106-28-5
cas number: 4602-84-0
smiles: CC(=CCCC(=CCCC(=CCO)C)C)C
broader: CHEMONTID_0001550
pubchem: 445070
notation: farnsl
formula: C15H26O
inchi: InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
inchikey: CRDAMVZIKSXKFV-YFVJMOTDSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: ['3,7,11-trimethyldodeca-2,6,10-trien-1-ol', '(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol'] @en

dihydrostreptomycine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 128-46-1
inchi: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1
inchikey: ASXBYYWOLISCLQ-ZCTIVXDHSA-N
formula: C21H41N7O12
notation: DHstreptmcne
iupac name: 2-[(1R,2S,3S,4R,5S,6S)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine @en
pubchem: 6602480
broader: CHEMONTID_0001675
in scheme: Conceptschema Chemische Stoffen

fluorantheen (b)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000023
inchi: InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H
in scheme: Conceptschema Chemische Stoffen
pubchem: 9154
cas number: 206-44-0
cas number: 76774-50-0
inchikey: GVEPBJHOBDJJJI-UHFFFAOYSA-N
alternative label: fluoranteen
alternative label: fluorantheen
formula: C16H10
iupac name: FLUORANTHENE @en
notation: Flu
is referenced by: LUC VI 001
smiles: C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4

acrylaldehyde
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002436
cas number: 107-02-8
cas number: 25068-14-8
cas number: 25314-61-8
in scheme: Conceptschema Chemische Stoffen
smiles: C=CC=O
iupac name: prop-2-enal @en
alternative label: acroleïne
notation: acAh
pubchem: 7847
inchi: InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
inchikey: HGINCPLSRVDWNT-UHFFFAOYSA-N
formula: C3H4O

paraquat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000326
notation: parqt
inchi: InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
smiles: C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C
in scheme: Conceptschema Chemische Stoffen
pubchem: 15939
formula: C12H14N2+2
cas number: 4685-14-7
cas number: 116047-10-0
inchikey: INFDPOAKFNIJBF-UHFFFAOYSA-N
iupac name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium @en

fenvaleraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 3347
in scheme: Conceptschema Chemische Stoffen
cas number: 131641-62-8
cas number: 67614-33-9
cas number: 51630-58-1
cas number: 67614-32-8
cas number: 66267-77-4
inchi: InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methylbutanoate @en
notation: fenvlrt
smiles: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
inchikey: NYPJDWWKZLNGGM-UHFFFAOYSA-N
broader: CHEMONTID_0001461
formula: C25H22ClNO3

cyanofenfos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 34460-46-3
cas number: 13067-93-1
cas number: 62421-62-9
cas number: 62421-63-0
cas number: 62421-61-8
iupac name: 4-(ethoxy-phenylphosphinothioyl)oxybenzonitrile @en
inchi: InChI=1S/C15H14NO2PS/c1-2-17-19(20,15-6-4-3-5-7-15)18-14-10-8-13(12-16)9-11-14/h3-11H,2H2,1H3
in scheme: Conceptschema Chemische Stoffen
smiles: CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)C#N
notation: cyanffs
inchikey: LRNJHZNPJSPMGK-UHFFFAOYSA-N
pubchem: 25669
formula: C15H14NO2PS
broader: CHEMONTID_0004767

chryseen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 65777-08-4
cas number: 218-01-9
cas number: 27274-05-1
formula: C18H12
inchi: InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
broader: CHEMONTID_0001142
notation: Chr
in scheme: Conceptschema Chemische Stoffen
iupac name: Chrysene @en
smiles: C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
is referenced by: LUC VI 001
inchikey: WDECIBYCCFPHNR-UHFFFAOYSA-N
pubchem: 9171

orfenadrine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
iupac name: N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine @en
smiles: CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C
formula: C18H23NO
cas number: 83-98-7
inchi: InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
pubchem: 4601
notation: orfadne
inchikey: QVYRGXJJSLMXQH-UHFFFAOYSA-N

cyproheptadine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 129-03-3
iupac name: 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000019
inchikey: JJCFRYNCJDLXIK-UHFFFAOYSA-N
inchi: InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
notation: cypHpdne
formula: C21H21N
pubchem: 2913

ferbam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C9H18FeN3S6
broader: CHEMONTID_0003997
smiles: CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3]
cas number: 14484-64-1
cas number: 21696-59-3
cas number: 64070-92-4
cas number: 301-05-3
cas number: 13494-27-4
iupac name: dimethylaminomethanedithioate; iron(+3) cation @en
in scheme: Conceptschema Chemische Stoffen
notation: ferbm
inchikey: WHDGWKAJBYRJJL-UHFFFAOYSA-K
inchi: InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
pubchem: 26710

d-carvon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 16724
broader: CHEMONTID_0001401
inchikey: ULDHMXUKGWMISQ-VIFPVBQESA-N
iupac name: (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one @en
inchi: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1
notation: dcarvn
formula: C10H14O
cas number: 2244-16-8
cas number: 53763-73-8
smiles: CC1=CCC(CC1=O)C(=C)C

indometacine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid @en
inchi: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
cas number: 37242-43-6
cas number: 53-86-1
cas number: 91853-74-6
pubchem: 3715
inchikey: CGIGDMFJXJATDK-UHFFFAOYSA-N
formula: C19H16ClNO4
broader: CHEMONTID_0001753
notation: indmtcne
in scheme: Conceptschema Chemische Stoffen

cis-5,8,11,14-eicosatertaeenzuur ethylester
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1808-26-0
formula: C22H36O2
broader: CHEMONTID_0000324
iupac name: ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate @en
inchikey: SNXPWYFWAZVIAU-GKFVBPDJSA-N
pubchem: 5367369
in scheme: Conceptschema Chemische Stoffen
notation: cC20aTzrC2y
smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC

1-ethyl-1-nitrosourea
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: FUSGACRLAFQQRL-UHFFFAOYSA-N
notation: 1C2y1NO2sura
pubchem: 12967
broader: CHEMONTID_0001229
inchi: InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)
cas number: 2151-05-5
cas number: 759-73-9
iupac name: 1-Ethyl-1-nitrosourea @en
formula: C3H7N3O2
in scheme: Conceptschema Chemische Stoffen
smiles: CCN(C(=O)N)N=O

3,3'-(ethyleendioxy)dipropiononitril
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 33C2yeDoxDpp
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000362
pubchem: 76921
iupac name: 3-[2-(2-cyanoethoxy)ethoxy]propanenitrile @en
smiles: C(COCCOCCC#N)C#N
cas number: 3386-87-6
inchikey: VTHRQKSLPFJQHN-UHFFFAOYSA-N
formula: C8H12N2O2
inchi: InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2

4-ethylheptaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 4C2yC7a
smiles: CCCC(CC)CCC
inchi: InChI=1S/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3
formula: C9H20
cas number: 2216-32-2
inchikey: XMROPFQWHHUFFS-UHFFFAOYSA-N
pubchem: 16663
iupac name: 4-ETHYLHEPTANE @en

ijzer (tweewaardig)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 15438-31-0
iupac name: iron(+2) cation @en
in scheme: Conceptschema Chemische Stoffen
smiles: [Fe+2]
broader: CHEMONTID_0000426
formula: Fe+2
notation: FeII
inchikey: CWYNVVGOOAEACU-UHFFFAOYSA-N
pubchem: 27284
inchi: InChI=1S/Fe/q+2

cyfenothrin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C24H25NO3
inchi: InChI=1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
notation: cyfntn
cas number: 39515-40-7
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001461
smiles: CC(=CC1C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C
inchikey: FJDPATXIBIBRIM-UHFFFAOYSA-N
pubchem: 38283

perfluor-3-7-dimethyloctaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C10HF19O2
broader: CHEMONTID_0003086
inchi: InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,8(21,22)23)5(15,16)7(19,20)6(17,18)4(14,9(24,25)26)10(27,28)29/h(H,30,31)
iupac name: 2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)octanoic acid @en
cas number: 172155-07-6
inchikey: KZUSAXRVIONPJU-UHFFFAOYSA-N
notation: P37DMOA
pubchem: 2776093
in scheme: Conceptschema Chemische Stoffen

maprotiline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000018
iupac name: N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine @en
smiles: CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
inchikey: QSLMDECMDJKHMQ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 4011
inchi: InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
formula: C20H23N
cas number: 10262-69-8
notation: maptlne

fexofenadine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 3348
formula: C32H39NO4
notation: fexfndne
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000369
inchikey: RWTNPBWLLIMQHL-UHFFFAOYSA-N
inchi: InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
cas number: 83799-24-0
cas number: 159389-12-5
cas number: 76815-58-2
iupac name: 2-[4-[1-hydroxy-4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid @en

2,4,4',5-tetrachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: TULCXSBAPHCWCF-UHFFFAOYSA-N
smiles: C1=CC(=CC=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl
pubchem: 36218
iupac name: 1,2,4-trichloro-5-(4-chlorophenyl)benzene @en
notation: PCB74
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)9-5-11(15)12(16)6-10(9)14/h1-6H
cas number: 32690-93-0
formula: C12H6Cl4
broader: CHEMONTID_0003030

2-nitrodifenylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000036
pubchem: 8407
formula: C12H10N2O2
notation: 2NO2DFyAe
inchi: InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
cas number: 119-75-5
iupac name: ['N-hydroxy-2-(phenylamino)benzeneamine oxide', 'N-oxido-N-[2-(phenylamino)phenyl]hydroxylamine', '2-Nitro-N-phenylaniline'] @en
inchikey: RUKISNQKOIKZGT-UHFFFAOYSA-N

fenamifos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: N-[ethoxy-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]propan-2-amine @en
broader: CHEMONTID_0004742
cas number: 22224-92-6
inchi: InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)
pubchem: 31070
notation: fenamfs
formula: C13H22NO3PS
inchikey: ZCJPOPBZHLUFHF-UHFFFAOYSA-N
smiles: CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C

fenpiclonil
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C11H6Cl2N2
cas number: 74738-17-3
inchi: InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H
iupac name: 4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile @en
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=C(C(=C1)Cl)Cl)C2=CNC=C2C#N
broader: CHEMONTID_0002334
inchikey: FKLFBQCQQYDUAM-UHFFFAOYSA-N
pubchem: 91724
notation: fenpcnl

heptaanzuur methylester
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0003417
iupac name: METHYL HEPTANOATE @en
in scheme: Conceptschema Chemische Stoffen
cas number: 106-73-0
pubchem: 7826
inchikey: XNCNNDVCAUWAIT-UHFFFAOYSA-N
smiles: CCCCCCC(=O)OC
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
notation: C7azrC1yEsr

ethylpirimifos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine @en
formula: C13H24N3O3PS
cas number: 23505-41-1
in scheme: Conceptschema Chemische Stoffen
inchikey: TZBPRYIIJAJUOY-UHFFFAOYSA-N
inchi: InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3
pubchem: 31957
broader: CHEMONTID_0004771
notation: C2yprmfs
smiles: CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C

o-chlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: AKCRQHGQIJBRMN-UHFFFAOYSA-N
pubchem: 7240
cas number: 27134-26-5
cas number: 95-51-2
broader: CHEMONTID_0000284
inchi: InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
notation: 2ClAn
iupac name: 2-Chloroaniline @en
smiles: C1=CC=C(C(=C1)N)Cl
formula: C6H6ClN
alternative label: 2-chlooraniline
in scheme: Conceptschema Chemische Stoffen

di-n-butylether
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: 1-Butoxybutane @en
comment: VLAR II bijl. 4.4.2 'dibutylether'
pubchem: 8909
is referenced by: LUC IV 008
is referenced by: LUC IV 011
is referenced by: LUC IV 000
inchikey: DURPTKYDGMDSBL-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001167
cas number: 142-96-1
formula: C8H18O
smiles: CCCCOCCCC
inchi: InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3

cinoxacine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3
inchikey: VDUWPHTZYNWKRN-UHFFFAOYSA-N
pubchem: 2762
broader: CHEMONTID_0000206
in scheme: Conceptschema Chemische Stoffen
formula: C12H10N2O5
inchi: InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)
cas number: 28657-80-9
iupac name: 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid @en

chlooracetonitril
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000362
smiles: C(C#N)Cl
cas number: 107-14-2
cas number: 1867-10-3
iupac name: 2-Chloroacetonitrile @en
formula: C2H2ClN
inchi: InChI=1S/C2H2ClN/c3-1-2-4/h1H2
in scheme: Conceptschema Chemische Stoffen
inchikey: RENMDAKOXSCIGH-UHFFFAOYSA-N
notation: Clactntl
pubchem: 7856

2,3,4-trimethyl-2-penteen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0004622
inchikey: SZFRZEBLZFTODC-UHFFFAOYSA-N
smiles: CC(C)C(=C(C)C)C
alternative label: 2,3,4-Trimethyl-2-penteen
inchi: InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6H,1-5H3
in scheme: Conceptschema Chemische Stoffen
cas number: 61665-19-8
cas number: 565-77-5
iupac name: 2,3,4-trimethylpent-2-ene @en
notation: 234TC1y2C5e
pubchem: 11270
formula: C8H16

nonylfenoltriethoxylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003338
inchi: InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-11-20-12-9-10-13-21(20)25-19-18-24-17-16-23-15-14-22/h9-10,12-13,22H,2-8,11,14-19H2,1H3
cas number: 27176-95-0
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCOCCO
inchikey: GDSSTYXBZTUGSJ-UHFFFAOYSA-N
pubchem: 176451
formula: C21H36O4
notation: NPEO3
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethanol @en

trichloorethanal
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: C(=O)C(Cl)(Cl)Cl
iupac name: 2,2,2-Trichloroacetaldehyde @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001516
inchikey: HFFLGKNGCAIQMO-UHFFFAOYSA-N
formula: C2HCl3O
notation: TClC2al
pubchem: 6407
inchi: InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
cas number: 75-87-6

dicloxacilline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 3116-76-5
cas number: 13412-64-1
notation: Dcloxclne
inchikey: SIGZQNJITOWQEF-VICXVTCVSA-M
formula: C19H18Cl2N3NaO6S
broader: CHEMONTID_0001189
iupac name: sodium (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate @en
pubchem: 25962

2-methoxyaniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: VMPITZXILSNTON-UHFFFAOYSA-N
cas number: 29191-52-4
cas number: 90-04-0
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004670
formula: C7H9NO
inchi: InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
notation: 2C1oxAn
iupac name: 2-Methoxyaniline @en
smiles: COC1=CC=CC=C1N
pubchem: 7000

seleen 75
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: selenium-75 @en
smiles: [Se]
inchi: InChI=1S/Se/i1-4
cas number: 14265-71-5
pubchem: 6328176
in scheme: Conceptschema Chemische Stoffen
formula: Se
notation: Se75
inchikey: BUGBHKTXTAQXES-AHCXROLUSA-N
broader: CHEMONTID_0000434

dodecyltrimethylammoniumchloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: C12ylTC1ylNH
cas number: 71061-07-9
cas number: 10182-91-9
cas number: 112-00-5
cas number: 59680-23-8
cas number: 37293-08-6
cas number: 37380-56-6
cas number: 108779-79-9
cas number: 62395-69-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004225
iupac name: dodecyl-trimethylazanium chloride @en
smiles: CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
formula: C15H34ClN
pubchem: 8152
inchikey: DDXLVDQZPFLQMZ-UHFFFAOYSA-M
inchi: InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1

1-broom-3-chloorpropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 109-70-6
in scheme: Conceptschema Chemische Stoffen
formula: C3H6BrCl
inchikey: MFESCIUQSIBMSM-UHFFFAOYSA-N
smiles: C(CCl)CBr
iupac name: 1-Bromo-3-chloropropane @en
broader: CHEMONTID_0001516
notation: 1Br3ClC3a
pubchem: 8006
inchi: InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2

dichlofenthion
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 11137-49-8
cas number: 97-17-6
formula: C10H13Cl2O3PS
broader: CHEMONTID_0004748
pubchem: 7328
iupac name: (2,4-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane @en
notation: Dcfton
in scheme: Conceptschema Chemische Stoffen
inchikey: WGOWCPGHOCIHBW-UHFFFAOYSA-N
smiles: CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl

domperidon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 57808-66-9
pubchem: 3151
iupac name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one @en
inchikey: FGXWKSZFVQUSTL-UHFFFAOYSA-N
broader: CHEMONTID_0000294
formula: C22H24ClN5O2
inchi: InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)

2-naftol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1321-67-1
cas number: 135-19-3
inchikey: JWAZRIHNYRIHIV-UHFFFAOYSA-N
formula: C10H8O
pubchem: 8663
inchi: InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
broader: CHEMONTID_0002441
iupac name: naphthalen-2-ol @en
notation: 2HOxNaf
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C2C=C(C=CC2=C1)O

desethylterbumeton
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 30125-64-5
notation: desC2ytbmtn
broader: CHEMONTID_0004734
formula: C8H15N5O
inchi: InChI=1S/C8H15N5O/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)
pubchem: 185719
iupac name: N-tert-butyl-6-methoxy-1,3,5-triazine-2,4-diamine @en
smiles: CC(C)(C)NC1=NC(=NC(=N1)N)OC
inchikey: HSYISQLUXXBNFW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

5-chloorbenzotriazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C6H4ClN3
pubchem: 66760
inchikey: PZBQVZFITSVHAW-UHFFFAOYSA-N
smiles: C1=CC2=NNN=C2C=C1Cl
cas number: 94-97-3
inchi: InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
broader: CHEMONTID_0000315
notation: 5Clbztazl
iupac name: 5-chloro-2H-benzotriazole @en

anisool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: COC1=CC=CC=C1
cas number: 100-66-3
in scheme: Conceptschema Chemische Stoffen
iupac name: Methoxybenzene @en
broader: CHEMONTID_0000138
formula: C7H8O
pubchem: 7519
inchikey: RDOXTESZEPMUJZ-UHFFFAOYSA-N
notation: ansl
inchi: InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

azijnzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 176
cas number: 9035-69-2
cas number: 77671-22-8
cas number: 157090-22-7
cas number: 68475-71-8
cas number: 64-19-7
cas number: 207004-55-5
formula: C2H4O2
comment: VLAREM II bijlage 4.4.2
in scheme: Conceptschema Chemische Stoffen
notation: HAc
inchi: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
inchikey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
broader: CHEMONTID_0001205
smiles: CC(=O)O
iupac name: acetic acid @en

benzyldimethyloctadecylammoniumchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: benzDC1yC18y
cas number: 37243-60-0
cas number: 37612-69-4
cas number: 122-19-0
cas number: 60650-76-2
cas number: 89004-38-6
inchi: InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1
in scheme: Conceptschema Chemische Stoffen
inchikey: SFVFIFLLYFPGHH-UHFFFAOYSA-M
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
pubchem: 31204
broader: CHEMONTID_0003977
formula: C27H50ClN
iupac name: benzyl-dimethyl-octadecylazanium chloride @en

3,5-xylylmethylcarbamaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2655-14-3
inchikey: CVQODEWAPZVVBU-UHFFFAOYSA-N
inchi: InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004640
smiles: CC1=CC(=CC(=C1)OC(=O)NC)C
formula: C10H13NO2
iupac name: (3,5-dimethylphenyl) N-methylcarbamate @en
notation: XMC
pubchem: 17563

cyazofamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: cyazfAd
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002327
pubchem: 9862076
cas number: 120116-88-3
inchikey: YXKMMRDKEKCERS-UHFFFAOYSA-N
iupac name: 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide @en
formula: C13H13ClN4O2S

mosterdgas
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001279
notation: mostgs
iupac name: 1-chloro-2-(2-chloroethylsulfanyl)ethane @en
inchi: InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2
inchikey: QKSKPIVNLNLAAV-UHFFFAOYSA-N
pubchem: 10461
cas number: 39472-40-7
cas number: 68157-62-0
cas number: 69020-37-7
cas number: 505-60-2
in scheme: Conceptschema Chemische Stoffen
formula: C4H8Cl2S
smiles: C(CCl)SCCCl

helium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: [He]
broader: CHEMONTID_0000433
notation: He
cas number: 14762-55-1
cas number: 71086-78-7
cas number: 494798-31-1
cas number: 7440-59-7
inchi: InChI=1S/He
formula: He
in scheme: Conceptschema Chemische Stoffen
inchikey: SWQJXJOGLNCZEY-UHFFFAOYSA-N
pubchem: 23987
iupac name: HELIUM @en

benzonitril
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C7H5N
broader: CHEMONTID_0001530
in scheme: Conceptschema Chemische Stoffen
pubchem: 7505
cas number: 100-47-0
smiles: C1=CC=C(C=C1)C#N
iupac name: Benzonitrile @en
notation: benzntl
inchi: InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
inchikey: JFDZBHWFFUWGJE-UHFFFAOYSA-N

N-benzyl-N-methyl-1-phenylmethanamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 21583
notation: NbzNC1y1FyC1
in scheme: Conceptschema Chemische Stoffen
inchikey: WYZDCUGWXKHESN-UHFFFAOYSA-N
broader: CHEMONTID_0000185
iupac name: N-methyl-1-phenyl-N-(phenylmethyl)methanamine @en
formula: C15H17N
cas number: 102-05-6
inchi: InChI=1S/C15H17N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
smiles: CN(CC1=CC=CC=C1)CC2=CC=CC=C2

iridium 190
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 167220
cas number: 14981-91-0
smiles: [Ir]
inchi: InChI=1S/Ir/i1-2
notation: Ir190
formula: Ir
broader: CHEMONTID_0000426
iupac name: iridium-190 @en
inchikey: GKOZUEZYRPOHIO-YPZZEJLDSA-N
in scheme: Conceptschema Chemische Stoffen

tetramethyldiaminobenzofenon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 7031
iupac name: bis(4-dimethylaminophenyl)methanone @en
cas number: 90-94-8
notation: T4C1aDAobzfn
inchi: InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
inchikey: VVBLNCFGVYUYGU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C17H20N2O
broader: CHEMONTID_0000120

1-hepteen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 592-76-7
cas number: 68526-53-4
cas number: 25339-56-4
comment: VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
iupac name: hept-1-ene @en
broader: CHEMONTID_0004476
is referenced by: LUC IV 000
is referenced by: LUC IV 005
is referenced by: LUC IV 011
smiles: CCCCCC=C
formula: C7H14
pubchem: 11610
notation: 1C7e
inchikey: ZGEGCLOFRBLKSE-UHFFFAOYSA-N

undecaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 8180
notation: C11azr
inchi: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
broader: CHEMONTID_0003086
cas number: 112-37-8
formula: C11H22O2
smiles: CCCCCCCCCCC(=O)O
in scheme: Conceptschema Chemische Stoffen
iupac name: Undecanoic acid @en
inchikey: ZDPHROOEEOARMN-UHFFFAOYSA-N

beta-endosulfan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: bedsfn
cas number: 891-86-1
cas number: 19670-15-6
cas number: 33213-65-9
cas number: 12640-59-4
inchikey: RDYMFSUJUZBWLH-VQDHCCOSSA-N
formula: C9H6Cl6O3S
inchi: InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8?,19?/m0/s1
broader: CHEMONTID_0002074
pubchem: 6434141
iupac name: (1S,2R,8S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide @en

fenson
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: SPJOZZSIXXJYBT-UHFFFAOYSA-N
iupac name: (4-chlorophenyl) benzenesulfonate @en
notation: fensn
smiles: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl
pubchem: 6636
cas number: 80-38-6
inchi: InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H
broader: CHEMONTID_0004309
in scheme: Conceptschema Chemische Stoffen
formula: C12H9ClO3S

2-methylaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003964
smiles: CC1=CC=CC=C1N
iupac name: 2-Methylaniline @en
comment: VLAREM II bijlage 4.4.2
notation: 2C1yAn
inchi: InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
cas number: 95-53-4
in scheme: Conceptschema Chemische Stoffen
alternative label: o-toluïdine
inchikey: RNVCVTLRINQCPJ-UHFFFAOYSA-N
pubchem: 7242
formula: C7H9N

bronopol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: C(C(CO)([N+](=O)[O-])Br)O
cas number: 52-51-7
cas number: 133248-96-1
iupac name: 2-Bromo-2-nitropropane-1,3-diol @en
inchi: InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004117
inchikey: LVDKZNITIUWNER-UHFFFAOYSA-N
notation: bronpl
formula: C3H6BrNO4
pubchem: 2450

trans-mevinfos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: methyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate @en
smiles: CC(=CC(=O)OC)OP(=O)(OC)OC
formula: C7H13O6P
notation: tmevfs
inchi: InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5-
pubchem: 6433175
inchikey: GEPDYQSQVLXLEU-WAYWQWQTSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
cas number: 338-45-4

cyanofos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 17522
cas number: 54578-39-1
cas number: 12692-90-9
cas number: 2636-26-2
smiles: COP(=S)(OC)OC1=CC=C(C=C1)C#N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004748
inchikey: SCKHCCSZFPSHGR-UHFFFAOYSA-N
formula: C9H10NO3PS
iupac name: 4-dimethoxyphosphinothioyloxybenzonitrile @en
inchi: InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
notation: cyanfs

oxazepam
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 61036-43-9
cas number: 604-75-1
cas number: 35295-88-6
notation: oxzpm
inchi: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
formula: C15H11ClN2O2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004097
pubchem: 4616
inchikey: ADIMAYPTOBDMTL-UHFFFAOYSA-N
iupac name: 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one @en

butachloor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CCCCOCN(C1=C(C=CC=C1CC)CC)C(=O)CCl
notation: butCl
broader: CHEMONTID_0000285
cas number: 23184-66-9
iupac name: N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide @en
formula: C17H26ClNO2
pubchem: 31677
inchi: InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3
inchikey: HKPHPIREJKHECO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

doxycycline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: KWOLJWUETSQNHB-CFLUDCDHSA-N
broader: CHEMONTID_0000181
iupac name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione dihydrate hydrochloride @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 5488501
inchi: InChI=1S/C22H24N2O8.ClH.2H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;;;/h4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3;1H;2*1H2/b21-13-;;;/t7-,10+,14+,15-,17-,22-;;;/m0.../s1
notation: doxccne
cas number: 564-25-0
cas number: 69935-17-7
formula: C22H29ClN2O10

indeno(1,2,3-c,d)pyreen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H
broader: CHEMONTID_0001851
alternative label: indeno(1,2,3-cd)pyreen
alternative label: indeno(1,2,3-cd)pyreen (b)
cas number: 193-39-5
cas number: 348085-46-1
pubchem: 9131
comment: VLAR II (D2)
formula: C22H12
notation: InP
inchikey: SXQBHARYMNFBPS-UHFFFAOYSA-N
iupac name: hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene @en
is referenced by: LUC VI 001

2,7-dimethyloctaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1072-16-8
pubchem: 14070
formula: C10H22
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,7-Dimethyloctane @en
inchi: InChI=1S/C10H22/c1-9(2)7-5-6-8-10(3)4/h9-10H,5-8H2,1-4H3
broader: CHEMONTID_0004620
smiles: CC(C)CCCCC(C)C
notation: 27DC1yC8a
inchikey: KEVMYFLMMDUPJE-UHFFFAOYSA-N

ivermectine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C95H146O28
notation: ivmctne
inchi: InChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25?,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1
broader: CHEMONTID_0002902
inchikey: SPBDXSGPUHCETR-MVGRHBATSA-N
cas number: 70288-86-7
pubchem: 6474909
iupac name: (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-butan-2-yl-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one @en
in scheme: Conceptschema Chemische Stoffen

bioresmethrin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3
cas number: 10453-86-8
cas number: 28434-01-7
cas number: 10453-54-0
cas number: 24380-84-5
pubchem: 5053
formula: C22H26O3
notation: resmtn
notation: biormtn
broader: CHEMONTID_0000051
alternative label: resmethrin
in scheme: Conceptschema Chemische Stoffen
iupac name: [5-(phenylmethyl)furan-3-yl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
inchikey: VEMKTZHHVJILDY-UHFFFAOYSA-N

2,2',4,5,5'-pentabroombifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: OELBLPCWLAWABI-UHFFFAOYSA-N
broader: CHEMONTID_0003954
inchi: InChI=1S/C12H5Br5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
pubchem: 49996
notation: PBB101
cas number: 67888-96-4
iupac name: 1,2,4-tribromo-5-(2,5-dibromophenyl)benzene @en
formula: C12H5Br5

quinomethionaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 113535-72-1
cas number: 2439-01-2
cas number: 85188-88-1
in scheme: Conceptschema Chemische Stoffen
formula: C10H6N2OS2
inchi: InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3
iupac name: 7-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one @en
broader: CHEMONTID_0000486
smiles: CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3
pubchem: 17109
notation: quinmtont
inchikey: FBQQHUGEACOBDN-UHFFFAOYSA-N

clofibrinezuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 2797
broader: CHEMONTID_0000417
inchikey: TXCGAZHTZHNUAI-UHFFFAOYSA-N
notation: clofbnzr
inchi: InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
in scheme: Conceptschema Chemische Stoffen
formula: C10H11ClO3
iupac name: 2-(4-Chlorophenoxy)-2-methylpropanoic acid @en
cas number: 882-09-7
smiles: CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl

enoxacine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid @en
inchi: InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)
in scheme: Conceptschema Chemische Stoffen
pubchem: 3229
broader: CHEMONTID_0001858
cas number: 74011-58-8
notation: enxcne
inchikey: IDYZIJYBMGIQMJ-UHFFFAOYSA-N
formula: C15H17FN4O3

N,N-diallyldichlooracetamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C8H11Cl2NO
alternative label: n,n-diallyldichlooracetamide
smiles: C=CCN(CC=C)C(=O)C(Cl)Cl
pubchem: 37829
cas number: 37764-25-3
cas number: 11140-95-7
inchi: InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001664
inchikey: YRMLFORXOOIJDR-UHFFFAOYSA-N
notation: NNDalDClacAd
iupac name: 2,2-dichloro-N,N-di(prop-2-enyl)acetamide @en

C.I. Vat Yellow 4
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000316
pubchem: 31412
cas number: 39280-74-5
cas number: 115685-46-6
cas number: 128-66-5
cas number: 12772-52-0
iupac name: hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaene-8,19-dione @en
alternative label: c.i. vat yellow 4
inchi: InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H
in scheme: Conceptschema Chemische Stoffen
inchikey: ZTWQZJLUUZHJGS-UHFFFAOYSA-N
formula: C24H12O2
notation: civyw4

ortho-xyleen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 1,2-Dimethylbenzene @en
alternative label: 1,2-Dimethylbenzeen
alternative label: 1,2-xyleen
alternative label: o-xyleen
smiles: CC1=CC=CC=C1C
is referenced by: LUC IV 000
is referenced by: LUC IV 001
is referenced by: LUC IV 011
comment: VLAR II bijl. 4.4.2 'xylenen'
cas number: 95-47-6
cas number: 68411-84-7
notation: 12xyln
inchikey: CTQNGGLPUBDAKN-UHFFFAOYSA-N
formula: C8H10
broader: CHEMONTID_0004210
inchi: InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
pubchem: 7237
in scheme: Conceptschema Chemische Stoffen

molinaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2212-67-1
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
iupac name: S-Ethyl azepane-1-carbothioate @en
broader: CHEMONTID_0000307
pubchem: 16653
inchikey: DEDOPGXGGQYYMW-UHFFFAOYSA-N
smiles: CCSC(=O)N1CCCCCC1
notation: molnt
formula: C9H17NOS

4-nitrofenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C6H5NO3
iupac name: 4-Nitrophenol @en
inchikey: BTJIUGUIPKRLHP-UHFFFAOYSA-N
broader: CHEMONTID_0000141
smiles: C1=CC(=CC=C1[N+](=O)[O-])O
pubchem: 980
inchi: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
cas number: 100-02-7
notation: 4NO2Fol

chloortrimethylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 15462
notation: ClTC1yBen
iupac name: 2-CHLORO-1,3,5-TRIMETHYLBENZENE @en
inchi: InChI=1S/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
in scheme: Conceptschema Chemische Stoffen
formula: C9H11Cl
inchikey: WDZACGWEPQLKOM-UHFFFAOYSA-N
broader: CHEMONTID_0001099
cas number: 1667-04-5
smiles: CC1=CC(=C(C(=C1)C)Cl)C

1,2,4-trichloorbenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 124TClBen
broader: CHEMONTID_0001099
inchi: InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
inchikey: PBKONEOXTCPAFI-UHFFFAOYSA-N
formula: C6H3Cl3
smiles: C1=CC(=C(C=C1Cl)Cl)Cl
cas number: 120-82-1
cas number: 63697-18-7
in scheme: Conceptschema Chemische Stoffen
pubchem: 13
iupac name: 1,2,4-trichlorobenzene @en

2,2',3,4,5'-pentachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0003030
notation: PCB87
iupac name: 1,2,3-trichloro-4-(2,5-dichlorophenyl)benzene @en
in scheme: Conceptschema Chemische Stoffen
cas number: 38380-02-8
pubchem: 38014
inchi: InChI=1S/C12H5Cl5/c13-6-1-3-9(14)8(5-6)7-2-4-10(15)12(17)11(7)16/h1-5H
formula: C12H5Cl5
inchikey: OPKYDBFRKPQCBS-UHFFFAOYSA-N

5-beta-cholestan-3-one
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 601-53-6
pubchem: 92132
inchi: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1
iupac name: (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one @en
inchikey: PESKGJQREUXSRR-JDIFZLMISA-N
broader: CHEMONTID_0001469
formula: C27H46O
notation: 5bcholet3on
in scheme: Conceptschema Chemische Stoffen

ijzer
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8053-60-9
cas number: 39344-71-3
cas number: 129048-51-7
cas number: 70884-35-4
cas number: 14067-02-8
cas number: 73135-38-3
cas number: 7439-89-6
cas number: 195161-83-2
cas number: 199281-22-6
cas number: 8011-79-8
formula: Fe
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Fe
pubchem: 23925
smiles: [Fe]
iupac name: Iron @en
inchikey: XEEYBQQBJWHFJM-UHFFFAOYSA-N
inchi: InChI=1S/Fe

dicrotofos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: ['(4-dimethylamino-4-oxobut-2-en-2-yl) dimethyl phosphate', '[(E)-4-dimethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate'] @en
smiles: CC(=CC(=O)N(C)C)OP(=O)(OC)OC
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+
inchikey: VEENJGZXVHKXNB-VOTSOKGWSA-N
cas number: 3735-78-2
cas number: 141-66-2
notation: Dctfs
broader: CHEMONTID_0003459
formula: C8H16NO5P
pubchem: 5371560

melkzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: melkzr
cas number: 1715-99-7
cas number: 50-21-5
cas number: 598-82-3
cas number: 152-36-3
cas number: 10326-41-7
cas number: 26100-51-6
cas number: 31587-11-8
inchikey: JVTAAEKCZFNVCJ-UHFFFAOYSA-N
inchi: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
iupac name: 2-hydroxypropanoic acid @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 612
broader: CHEMONTID_0001359
formula: C3H6O3
smiles: CC(C(=O)O)O

triforine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: Tfrne
iupac name: N-[2,2,2-trichloro-1-[4-(2,2,2-trichloro-1-formamidoethyl)piperazin-1-yl]ethyl]formamide @en
broader: CHEMONTID_0003357
cas number: 26644-46-2
cas number: 36660-66-9
cas number: 37273-84-0
pubchem: 33565
inchikey: RROQIUMZODEXOR-UHFFFAOYSA-N
formula: C10H14Cl6N4O2
in scheme: Conceptschema Chemische Stoffen

isoxathion
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: ixtton
in scheme: Conceptschema Chemische Stoffen
iupac name: diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidenephosphorane @en
cas number: 18854-01-8
pubchem: 29307
inchi: InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
formula: C13H16NO4PS
broader: CHEMONTID_0004623
smiles: CCOP(=S)(OCC)OC1=NOC(=C1)C2=CC=CC=C2
inchikey: SDMSCIWHRZJSRN-UHFFFAOYSA-N

ethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 6324
iupac name: ETHANE @en
inchi: InChI=1S/C2H6/c1-2/h1-2H3
in scheme: Conceptschema Chemische Stoffen
notation: C2a
inchikey: OTMSDBZUPAUEDD-UHFFFAOYSA-N
cas number: 74-84-0
formula: C2H6
smiles: CC
broader: CHEMONTID_0002500

benzoylecgonine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 442997
inchikey: GVGYEFKIHJTNQZ-CLRIEMFWSA-N
notation: benzyegnne
iupac name: (2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid @en
broader: CHEMONTID_0001350
inchi: InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14+/m0/s1
in scheme: Conceptschema Chemische Stoffen
formula: C16H19NO4
cas number: 519-09-5

N,3-dimethylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003964
cas number: 696-44-6
alternative label: n,3-dimethylaniline
inchi: InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3
formula: C8H11N
pubchem: 69675
in scheme: Conceptschema Chemische Stoffen
inchikey: FBGJJTQNZVNEQU-UHFFFAOYSA-N
notation: N3DC1yAn
smiles: CC1=CC(=CC=C1)NC
iupac name: N,3-Dimethylaniline @en

brucine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002749
inchi: InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18?,19-,21-,22?,23+/m0/s1
cas number: 357-57-3
cas number: 70206-61-0
cas number: 54193-32-7
cas number: 193198-03-7
cas number: 101324-32-7
pubchem: 9649
notation: brucne
inchikey: RRKTZKIUPZVBMF-PLNGPGDESA-N
in scheme: Conceptschema Chemische Stoffen
formula: C23H26N2O4
iupac name: (4aR,5aS,8aR,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one @en

n-(2,4-dimethylfenyl)formamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000285
inchikey: JOFDPSBOUCXJCC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 60397-77-5
pubchem: 92363
smiles: CC1=CC(=C(C=C1)NC=O)C
iupac name: N-(2,4-dimethylphenyl)formamide @en
formula: C9H11NO
alternative label: N-(2,4-dimethylfenyl)formamide
inchi: InChI=1S/C9H11NO/c1-7-3-4-9(10-6-11)8(2)5-7/h3-6H,1-2H3,(H,10,11)
notation: N24DC1yFyfAd

tributyltin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/3C4H9.Sn/c3*1-3-4-2;/h3*1,3-4H2,2H3;/q;;;+1
cas number: 36643-28-4
in scheme: Conceptschema Chemische Stoffen
alternative label: tributyltin (kation)
inchikey: LSKGFBJLYWXIOF-UHFFFAOYSA-N
broader: CHEMONTID_0004072
notation: TC4ySn
pubchem: 37499
smiles: CCCC[Sn+](CCCC)CCCC
formula: C12H27Sn+
iupac name: tributylstannanylium @en

1-docoseen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: SPURMHFLEKVAAS-UHFFFAOYSA-N
pubchem: 74138
smiles: CCCCCCCCCCCCCCCCCCCCC=C
iupac name: docos-1-ene @en
formula: C22H44
cas number: 29730-67-4
cas number: 93924-10-8
cas number: 1599-67-3
broader: CHEMONTID_0004476
notation: 1C22e
in scheme: Conceptschema Chemische Stoffen

2-methoxy-4-nitrofenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C7H7NO4
pubchem: 76738
iupac name: 2-Methoxy-4-nitrophenol @en
notation: 2C1ox4NO2Fol
broader: CHEMONTID_0004671
smiles: COC1=C(C=CC(=C1)[N+](=O)[O-])O
in scheme: Conceptschema Chemische Stoffen
cas number: 3251-56-7
inchikey: IZLVFLOBTPURLP-UHFFFAOYSA-N
inchi: InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3

2-(2-(4-nonylfenoxy)ethoxy)ethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: BLXVTZPGEOGTGG-UHFFFAOYSA-N
iupac name: 2-[2-(4-Nonylphenoxy)ethoxy]ethanol @en
cas number: 9016-45-9
cas number: 20427-84-3
formula: C19H32O3
notation: NPEO1
notation: 224C9yfOxC2o
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002341
alternative label: nonylfenolmonoethoxylaat
smiles: CCCCCCCCCC1=CC=C(C=C1)OCCOCCO
pubchem: 24773
inchi: InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3

alprazolam
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine @en
formula: C17H13ClN4
broader: CHEMONTID_0004226
notation: alpzlm
cas number: 28981-97-7
inchikey: VREFGVBLTWBCJP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
pubchem: 2118

3-careen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 13466-78-9
cas number: 74806-04-5
cas number: 116783-27-8
formula: C10H16
pubchem: 26049
broader: CHEMONTID_0001564
smiles: CC1=CCC2C(C1)C2(C)C
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,7,7-trimethylbicyclo[4.1.0]hept-3-ene @en
notation: 3carn
inchi: InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
inchikey: BQOFWKZOCNGFEC-UHFFFAOYSA-N

p-chloor-m-cresol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: SSIMHHUMYMHNID-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-(chloromethyl)phenol @en
notation: pClmcsl
formula: C7H7ClO
broader: CHEMONTID_0003980
inchi: InChI=1S/C7H7ClO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5H2
cas number: 35421-08-0
pubchem: 35684
smiles: C1=CC(=CC=C1CCl)O

carbohydrazide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: carbhdzde
iupac name: 1,3-Diaminourea @en
formula: CH6N4O
inchi: InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)
in scheme: Conceptschema Chemische Stoffen
pubchem: 73948
broader: CHEMONTID_0002464
smiles: C(=O)(NN)NN
inchikey: XEVRDFDBXJMZFG-UHFFFAOYSA-N
cas number: 497-18-7

1-chloorbutaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: VFWCMGCRMGJXDK-UHFFFAOYSA-N
inchi: InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3
broader: CHEMONTID_0001516
formula: C4H9Cl
pubchem: 8005
iupac name: 1-Chlorobutane @en
smiles: CCCCCl
notation: 1ClC4a
in scheme: Conceptschema Chemische Stoffen
cas number: 109-69-3

2,6-dimethylpyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3
notation: 26DC1yprdne
smiles: CC1=NC(=CC=C1)C
cas number: 108-48-5
in scheme: Conceptschema Chemische Stoffen
formula: C7H9N
pubchem: 7937
broader: CHEMONTID_0004152
iupac name: 2,6-Dimethylpyridine @en
inchikey: OISVCGZHLKNMSJ-UHFFFAOYSA-N

2,6-xylidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
formula: C8H11N
broader: CHEMONTID_0004209
in scheme: Conceptschema Chemische Stoffen
notation: 26xyldne
pubchem: 6896
smiles: CC1=C(C(=CC=C1)C)N
inchikey: UFFBMTHBGFGIHF-UHFFFAOYSA-N
cas number: 87-62-7
iupac name: 2,6-Dimethylaniline @en

arseen 74
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: As74
pubchem: 6335515
broader: CHEMONTID_0000431
inchikey: RQNWIZPPADIBDY-BJUDXGSMSA-N
cas number: 14304-78-0
formula: As
inchi: InChI=1S/As/i1-1
smiles: [As]
iupac name: arsenic-74 @en
in scheme: Conceptschema Chemische Stoffen

natriumlaurylsulfaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: DBMJMQXJHONAFJ-UHFFFAOYSA-M
cas number: 12738-53-3
cas number: 1334-67-4
cas number: 74433-77-5
cas number: 12765-21-8
cas number: 111726-87-5
cas number: 58640-35-0
cas number: 121481-64-9
cas number: 61711-39-5
cas number: 51222-39-0
cas number: 1335-72-4
cas number: 129203-37-8
cas number: 8012-56-4
cas number: 151-21-3
cas number: 64441-33-4
cas number: 152155-52-7
cas number: 57176-54-2
formula: C12H25NaO4S
smiles: CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
inchi: InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
iupac name: Sodium dodecyl sulfate @en
broader: CHEMONTID_0001185
pubchem: 9028
notation: NaLySO4
in scheme: Conceptschema Chemische Stoffen

arseniet
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: OWTFKEBRIAXSMO-UHFFFAOYSA-N
cas number: 15502-74-6
cas number: 11118-55-1
formula: AsO3-3
smiles: [O-][As]([O-])[O-]
iupac name: arsorite @en
notation: AsO2
pubchem: 544
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001475
inchi: InChI=1S/AsO3/c2-1(3)4/q-3

boorzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: KGBXLFKZBHKPEV-UHFFFAOYSA-N
broader: CHEMONTID_0001476
smiles: B(O)(O)O
cas number: 11113-50-1
cas number: 11129-12-7
cas number: 13813-79-1
cas number: 10043-35-3
cas number: 13460-50-9
cas number: 12795-04-9
iupac name: Boric acid @en
formula: BH3O3
in scheme: Conceptschema Chemische Stoffen
notation: boorzr
pubchem: 7628
inchi: InChI=1S/BH3O3/c2-1(3)4/h2-4H

3,4-dinitrofenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0004505
formula: C6H4N2O5
iupac name: 3,4-DINITROPHENOL @en
pubchem: 11348
inchikey: AKLOLDQYWQAREW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 577-71-9
inchi: InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H
notation: 34DNO2Fol
smiles: C1=CC(=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-]

cyproteronacetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C24H29ClO4
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
inchikey: UWFYSQMTEOIJJG-FDTZYFLXSA-N
broader: CHEMONTID_0001468
cas number: 427-51-0
pubchem: 9880
iupac name: [(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate @en
notation: cyptractt

carbonylsulfide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000004
pubchem: 10039
notation: carbnS
inchikey: JJWKPURADFRFRB-UHFFFAOYSA-N
cas number: 463-58-1
cas number: 20684-88-2
iupac name: sulfanylidenemethanone @en
formula: COS
smiles: C(=O)=S
inchi: InChI=1S/COS/c2-1-3
in scheme: Conceptschema Chemische Stoffen

benzo(e)pyreen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 9128
cas number: 73467-76-2
cas number: 192-97-2
formula: C20H12
in scheme: Conceptschema Chemische Stoffen
iupac name: benzo[e]pyrene @en
broader: CHEMONTID_0000316
notation: BeP
inchi: InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
inchikey: TXVHTIQJNYSSKO-UHFFFAOYSA-N

p-tertiair-butyltolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 98-51-1
broader: CHEMONTID_0002811
iupac name: 1-tert-Butyl-4-methylbenzene @en
notation: pttC4yTol
inchi: InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3
formula: C11H16
smiles: CC1=CC=C(C=C1)C(C)(C)C
inchikey: QCWXDVFBZVHKLV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 7390

beryllium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000428
smiles: [Be]
notation: Be
inchikey: ATBAMAFKBVZNFJ-UHFFFAOYSA-N
formula: Be
cas number: 7440-41-7
in scheme: Conceptschema Chemische Stoffen
pubchem: 5460467
iupac name: BERYLLIUM @en
inchi: InChI=1S/Be

thioacetamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: toacAd
iupac name: Ethanethioamide @en
cas number: 1482-80-0
cas number: 62-55-5
inchikey: YUKQRDCYNOVPGJ-UHFFFAOYSA-N
broader: CHEMONTID_0000510
in scheme: Conceptschema Chemische Stoffen
pubchem: 6117
smiles: CC(=N)S
inchi: InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)
formula: C2H5NS

vamidothion
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: CUJJSLYROAWARJ-UHFFFAOYSA-N
pubchem: 16775
formula: C8H18NO4PS2
notation: vamdton
broader: CHEMONTID_0001663
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H18NO4PS2/c1-9-8(10)4-5-15-6-7-16-14(11,12-2)13-3/h4-7H2,1-3H3,(H,9,10)
cas number: 2275-23-2
smiles: CNC(=O)CCSCCSP(=O)(OC)OC

guazatine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: RONFGUROBZGJKP-UHFFFAOYSA-N
notation: guaztne
smiles: C(CCCCN=C(N)N)CCCNCCCCCCCCN=C(N)N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000375
cas number: 79956-56-2
cas number: 13516-27-3
cas number: 108173-90-6
inchi: InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
formula: C18H41N7
pubchem: 3526

dibroommethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 3024
broader: CHEMONTID_0004157
cas number: 74-95-3
cas number: 4371-77-1
formula: CH2Br2
smiles: C(Br)Br
iupac name: Dibromomethane @en
inchikey: FJBFPHVGVWTDIP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: DBrC1a
inchi: InChI=1S/CH2Br2/c2-1-3/h1H2

hexaconazool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 66461
formula: C14H17Cl2N3O
inchikey: STMIIPIFODONDC-UHFFFAOYSA-N
cas number: 79983-71-4
smiles: CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O
broader: CHEMONTID_0002564
notation: Hxcnzl
inchi: InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
iupac name: 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol @en
in scheme: Conceptschema Chemische Stoffen

8alpha-estradiol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
cas number: 517-04-4
inchi: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14?,15-,16?,17-,18?/m0/s1
notation: 8aestDol
formula: C18H24O2
broader: CHEMONTID_0003570
pubchem: 10596
inchikey: VOXZDWNPVJITMN-ZZEXBNFBSA-N
iupac name: (8S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol @en

1,1-difenylhydrazine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 530-50-7
cas number: 530-47-2
formula: C12H13ClN2
broader: CHEMONTID_0000113
pubchem: 10738
iupac name: 1,1-Diphenylhydrazine hydrochloride @en
smiles: C1=CC=C(C=C1)N(C2=CC=CC=C2)N.Cl
inchi: InChI=1S/C12H12N2.ClH/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,13H2;1H
inchikey: MIVUDWFNUOXEJM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: 11DFydzne

flecainide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000178
cas number: 54143-55-4
cas number: 99495-87-1
formula: C17H20F6N2O3
inchikey: DJBNUMBKLMJRSA-UHFFFAOYSA-N
pubchem: 3356
inchi: InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)
in scheme: Conceptschema Chemische Stoffen
iupac name: N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide @en
notation: flecinde

propionaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: XBDQKXXYIPTUBI-UHFFFAOYSA-M
broader: CHEMONTID_0001205
cas number: 72-03-7
smiles: CCC(=O)[O-]
notation: propont
formula: C3H5O2-
pubchem: 104745
iupac name: propanoate @en
inchi: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
in scheme: Conceptschema Chemische Stoffen

perfluordodecaansulfonzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
cas number: 79780-39-5
inchi: InChI=1S/C12HF25O3S/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)41(38,39)40/h(H,38,39,40)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonic acid @en
notation: PFDoDS
notation: PFDoAS
alternative label: perfluor-n-dodecaansulfonzuur (pfdods)
alternative label: perfluordodecaansulfonzuur (pfdods)
alternative label: perfluor-n-dodecaansulfonzuur
inchikey: CFCRODHVHXGTPC-UHFFFAOYSA-N
formula: C12HF25O3S
pubchem: 3018866

californium 249
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: HGLDOAKPQXAFKI-YPZZEJLDSA-N
smiles: [Cf]
notation: Cf249
broader: CHEMONTID_0000430
formula: Cf
cas number: 15237-97-5
pubchem: 105176
iupac name: californium-249 @en
inchi: InChI=1S/Cf/i1-2
in scheme: Conceptschema Chemische Stoffen

1,2,3,4,7,8-hexachloordibenzodioxine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
formula: C12H2Cl6O2
is referenced by: LUC VI 002
alternative label: 1,2,3,4,7,8-hexachloordibenzo-p-dioxine
alternative label: 1,2,3,4,7,8-hexachloordibenzo-para-dioxine
alternative label: 1,2,3,4,7,8-hexachloordibenzodioxine (hxcdd)
inchikey: WCYYQNSQJHPVMG-UHFFFAOYSA-N
cas number: 39227-28-6
inchi: InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H
pubchem: 38251
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,4,7,8-hexachlorooxanthrene @en
broader: CHEMONTID_0000420
notation: PCDD66

1,2,3,5-tetramethylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,5-Tetramethylbenzene @en
cas number: 527-53-7
formula: C10H14
inchi: InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3
notation: 1235T4C1yBen
broader: CHEMONTID_0002279
pubchem: 10695
smiles: CC1=CC(=C(C(=C1)C)C)C
inchikey: BFIMMTCNYPIMRN-UHFFFAOYSA-N

tributyltrithiofosfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CCCCSP(=O)(SCCCC)SCCCC
pubchem: 5125
cas number: 78-48-8
in scheme: Conceptschema Chemische Stoffen
inchikey: ZOKXUAHZSKEQSS-UHFFFAOYSA-N
notation: TC4yTtoPO4
broader: CHEMONTID_0001438
inchi: InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3
formula: C12H27OPS3

C.I. Disperse Yellow 3
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
alternative label: c.i. disperse yellow 3
inchi: InChI=1S/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,17H,1-2H3,(H,16,19)/b18-14+
inchikey: ZGLBGXHBFHCOAF-NBVRZTHBSA-N
broader: CHEMONTID_0001846
cas number: 12227-01-9
cas number: 12238-70-9
cas number: 66057-65-6
cas number: 2832-40-8
formula: C15H15N3O2
pubchem: 5372015
in scheme: Conceptschema Chemische Stoffen
iupac name: ['N-[4-[(2E)-2-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]acetamide', 'N-[4-[2-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]acetamide'] @en
notation: cidyw3

glibenclamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: glibcmde
formula: C23H28ClN3O5S
inchikey: ZNNLBTZKUZBEKO-UHFFFAOYSA-N
pubchem: 3488
cas number: 10238-21-8

natriumcyclamaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: Naccmt
cas number: 139-05-9
cas number: 53170-91-5
cas number: 61373-78-2
iupac name: Sodium N-cyclohexylsulfamate @en
inchi: InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
inchikey: UDIPTWFVPPPURJ-UHFFFAOYSA-M
formula: C6H12NNaO3S
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000365
smiles: C1CCC(CC1)NS(=O)(=O)[O-].[Na+]
pubchem: 8751

ethyl-4-hydroxybenzoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CCOC(=O)C1=CC=C(C=C1)O
iupac name: Ethyl 4-hydroxybenzoate @en
inchikey: NUVBSKCKDOMJSU-UHFFFAOYSA-N
notation: C2y4HOxbzat
broader: CHEMONTID_0004702
pubchem: 8434
cas number: 120-47-8
formula: C9H10O3
inchi: InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3

2,6-dinitroaniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
pubchem: 69070
cas number: 606-22-4
notation: 26DNO2An
formula: C6H5N3O4
inchikey: QFUSCYRJMXLNRB-UHFFFAOYSA-N
inchi: InChI=1S/C6H5N3O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H,7H2
smiles: C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-]
iupac name: 2,6-Dinitroaniline @en

carbamazepine 10,11-epoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)
formula: C15H12N2O2
inchikey: ZRWWEEVEIOGMMT-UHFFFAOYSA-N
pubchem: 2555
notation: carbmzpn1011
in scheme: Conceptschema Chemische Stoffen
iupac name: 3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide @en
broader: CHEMONTID_0000320
cas number: 36507-30-9

N,N,2-trimethylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C9H13N
inchikey: JDEJGVSZUIJWBM-UHFFFAOYSA-N
inchi: InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3
cas number: 29256-93-7
cas number: 609-72-3
smiles: CC1=CC=CC=C1N(C)C
broader: CHEMONTID_0003964
iupac name: N,N,2-Trimethylaniline @en
in scheme: Conceptschema Chemische Stoffen
notation: NN2TC1yAn
alternative label: n,n,2-trimethylaniline
pubchem: 11869

diethatyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 38725-95-0
in scheme: Conceptschema Chemische Stoffen
smiles: CCC1=C(C(=CC=C1)CC)N(CC(=O)O)C(=O)CCl
pubchem: 91627
notation: Dettl
iupac name: 2-[(2-chloroacetyl)-(2,6-diethylphenyl)amino]acetic acid @en
inchi: InChI=1S/C14H18ClNO3/c1-3-10-6-5-7-11(4-2)14(10)16(9-13(18)19)12(17)8-15/h5-7H,3-4,8-9H2,1-2H3,(H,18,19)
formula: C14H18ClNO3
broader: CHEMONTID_0002402
inchikey: ISERORSDFSDMDV-UHFFFAOYSA-N

tetrabroombisfenol a
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000143
inchikey: VEORPZCZECFIRK-UHFFFAOYSA-N
alternative label: tetrabroombisfenol-a
alternative label: tetrabroombisfenol A
cas number: 7300-23-4
cas number: 26446-62-8
cas number: 25639-54-7
cas number: 107719-55-1
cas number: 124779-54-0
cas number: 110670-65-0
cas number: 108608-60-2
cas number: 76341-26-9
cas number: 131891-38-8
cas number: 51253-31-7
cas number: 79-94-7
cas number: 30496-13-0
pubchem: 6618
iupac name: 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol @en
in scheme: Conceptschema Chemische Stoffen
formula: C15H12Br4O2
notation: T4BrbFolA
inchi: InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3

2,2',4,4'-tetrabroombifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: PBB52
inchikey: IMEYSCIEAFLSQJ-UHFFFAOYSA-N
pubchem: 91669
cas number: 60044-25-9
cas number: 59080-37-4
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,4-dibromo-2-(2,6-dibromophenyl)benzene @en
formula: C12H6Br4
broader: CHEMONTID_0003954
inchi: InChI=1S/C12H6Br4/c13-7-4-5-9(14)8(6-7)12-10(15)2-1-3-11(12)16/h1-6H

2,4,6-trinitrotolueen (tnt)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
alternative label: 2,4,6-trinitrotolueen (TNT)
cas number: 118-96-7
notation: TNT
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
inchikey: SPSSULHKWOKEEL-UHFFFAOYSA-N
formula: C7H5N3O6
broader: CHEMONTID_0000036
iupac name: 2-Methyl-1,3,5-trinitrobenzene @en
pubchem: 8376
smiles: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

dioxabenzofos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 3811-49-2
cas number: 90293-16-6
cas number: 90293-10-0
notation: DOxbzfs
formula: C8H9O3PS
iupac name: 8-methoxy-8-sulfanylidene-7,9-dioxa-8$l^{5}-phosphabicyclo[4.4.0]deca-1,3,5-triene @en
inchikey: OUNSASXJZHBGAI-UHFFFAOYSA-N
broader: CHEMONTID_0004623
in scheme: Conceptschema Chemische Stoffen
smiles: COP1(=S)OCC2=CC=CC=C2O1
inchi: InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3
pubchem: 19657

sulfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: O4S-2
inchi: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
smiles: [O-]S(=O)(=O)[O-]
cas number: 14808-79-8
cas number: 18785-72-3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001077
is referenced by: WAC V B 003
pubchem: 1117
inchikey: QAOWNCQODCNURD-UHFFFAOYSA-L
notation: SO4
iupac name: SULFATE @en

calciumoxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: O=[Ca]
cas number: 245321-52-2
cas number: 104624-96-6
cas number: 1305-78-8
cas number: 60873-85-0
cas number: 12610-14-9
broader: CHEMONTID_0000546
formula: CaO
inchikey: ODINCKMPIJJUCX-UHFFFAOYSA-N
iupac name: oxocalcium @en
notation: CaO
in scheme: Conceptschema Chemische Stoffen
pubchem: 14778
inchi: InChI=1S/Ca.O

10,11-dihydroxycarbamazepine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 3564-73-6
iupac name: 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide @en
broader: CHEMONTID_0000320
pubchem: 19099
notation: 1011DHcbmzpn
smiles: C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N
formula: C15H14N2O
inchikey: PHNLCHMJDSSPDQ-UHFFFAOYSA-N
inchi: InChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18)

1,4-diethylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
inchikey: DSNHSQKRULAAEI-UHFFFAOYSA-N
iupac name: 1,4-DIETHYLBENZENE @en
cas number: 105-05-5
smiles: CCC1=CC=C(C=C1)CC
notation: 14DC2yBen
broader: CHEMONTID_0002279
pubchem: 7734
in scheme: Conceptschema Chemische Stoffen
formula: C10H14

cholest-3-een
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11,19-25H,7-10,12-18H2,1-5H3/t20-,21?,22?,23?,24+,25+,26?,27?/m1/s1
pubchem: 140131
broader: CHEMONTID_0003566
notation: chol3en
cas number: 16732-84-6
iupac name: (9S,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene @en
inchikey: SFBMPHLOQAKIBY-HXHCRBPZSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C27H46

trichloorisocyanuurzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 87-90-1
smiles: C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl
iupac name: 1,3,5-Trichloro-1,3,5-triazinane-2,4,6-trione @en
formula: C3Cl3N3O3
broader: CHEMONTID_0001920
notation: TCliCNzr
pubchem: 6909
in scheme: Conceptschema Chemische Stoffen
inchikey: YRIZYWQGELRKNT-UHFFFAOYSA-N
inchi: InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11

oestron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
cas number: 37242-41-4
cas number: 53-16-7
formula: C18H22O2
iupac name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one @en
pubchem: 5870
smiles: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
inchikey: DNXHEGUUPJUMQT-CBZIJGRNSA-N
notation: oestn
broader: CHEMONTID_0003570
in scheme: Conceptschema Chemische Stoffen

benzoylchloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C7H5ClO
notation: benzyCl
cas number: 98-88-4
inchikey: PASDCCFISLVPSO-UHFFFAOYSA-N
inchi: InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
broader: CHEMONTID_0000176
iupac name: BENZOYL CHLORIDE @en
pubchem: 7412
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)C(=O)Cl

jodfenfos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3
broader: CHEMONTID_0004748
formula: C8H8Cl2IO3PS
in scheme: Conceptschema Chemische Stoffen
cas number: 18181-70-9
pubchem: 28935
notation: jodffs
iupac name: (2,5-dichloro-4-iodophenoxy)-dimethoxy-sulfanylidenephosphorane @en
inchikey: LFVLUOAHQIVABZ-UHFFFAOYSA-N
smiles: COP(=S)(OC)OC1=CC(=C(C=C1Cl)I)Cl

calcium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: Ca
cas number: 7789-78-8
cas number: 7440-70-2
cas number: 8047-59-4
notation: Ca
smiles: [Ca]
is referenced by: WAC III A 009
pubchem: 5460341
inchi: InChI=1S/Ca
inchikey: OYPRJOBELJOOCE-UHFFFAOYSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
iupac name: Calcium @en

tereftaalzuur diisobutylester
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 18699-48-4
inchi: InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-5-7-14(8-6-13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
inchikey: LQKWPGAPADIOSS-UHFFFAOYSA-N
broader: CHEMONTID_0004012
notation: terfzDiC4yEs
pubchem: 29218
in scheme: Conceptschema Chemische Stoffen
iupac name: bis(2-methylpropyl) benzene-1,4-dicarboxylate @en
formula: C16H22O4
smiles: CC(C)COC(=O)C1=CC=C(C=C1)C(=O)OCC(C)C

curcumine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000356
in scheme: Conceptschema Chemische Stoffen
iupac name: ['5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one', '(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one'] @en
inchikey: ZIUSSTSXXLLKKK-KOBPDPAPSA-N
notation: curcmn
pubchem: 5281767
inchi: InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-
cas number: 458-37-7
formula: C21H20O6

2,4-tolueendi-isocyanaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 24TolDiCN
alternative label: 2,4-tolueendiisocyanaat
cas number: 26006-20-2
cas number: 86-91-9
cas number: 26471-62-5
cas number: 584-84-9
cas number: 1321-38-6
cas number: 59539-76-3
inchi: InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003983
pubchem: 11443
formula: C9H6N2O2
smiles: CC1=C(C=C(C=C1)N=C=O)N=C=O
inchikey: DVKJHBMWWAPEIU-UHFFFAOYSA-N
iupac name: 2,4-Diisocyanato-1-methylbenzene @en
comment: VLAREM II bijlage 4.4.2

gamithromycine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 145435-72-9
broader: CHEMONTID_0000282
iupac name: (2R,3S,4R,5S,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-7-propyl-1-oxa-7-azacyclopentadecan-15-one @en
pubchem: 23725090
inchi: InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25?,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1
inchikey: VWAMTBXLZPEDQO-FWEXOAGLSA-N
formula: C40H76N2O12
in scheme: Conceptschema Chemische Stoffen

2,6-di-tert-butyl-1,4-benzochinon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001563
cas number: 719-22-2
notation: 26DttC4y14be
inchikey: RDQSIADLBQFVMY-UHFFFAOYSA-N
formula: C14H20O2
iupac name: 2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C
inchi: InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3
pubchem: 12867

astatium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000432
pubchem: 5460479
formula: At
cas number: 31665-25-5
cas number: 7440-68-8
cas number: 76971-83-0
smiles: [At]
notation: At
in scheme: Conceptschema Chemische Stoffen
inchikey: RYXHOMYVWAEKHL-UHFFFAOYSA-N
inchi: InChI=1S/At
iupac name: astatine @en

isoxaben
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: isxbn
broader: CHEMONTID_0004111
inchi: InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)
inchikey: PMHURSZHKKJGBM-UHFFFAOYSA-N
cas number: 82558-50-7
formula: C18H24N2O4
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide @en
pubchem: 73672

4'-hydroxydiclofenac
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 4HoxDcfnc
formula: C14H11Cl2NO3
inchikey: KGVXVPRLBMWZLG-UHFFFAOYSA-N
broader: CHEMONTID_0002564
inchi: InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)
cas number: 64118-84-9
iupac name: 2-[2-[(2,6-dichloro-4-hydroxyphenyl)amino]phenyl]acetic acid @en
pubchem: 116545
in scheme: Conceptschema Chemische Stoffen

clodinafop-propargyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1
smiles: CC(C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F
inchikey: JBDHZKLJNAIJNC-LLVKDONJSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 105512-06-9
cas number: 126572-25-6
cas number: 126301-94-8
notation: clodnfppgl
broader: CHEMONTID_0004677
iupac name: prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate @en
formula: C17H13ClFNO4
pubchem: 92431

pentacosaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 629-99-2
iupac name: PENTACOSANE @en
inchikey: YKNWIILGEFFOPE-UHFFFAOYSA-N
smiles: CCCCCCCCCCCCCCCCCCCCCCCCC
broader: CHEMONTID_0002500
pubchem: 12406
notation: C25a
in scheme: Conceptschema Chemische Stoffen
formula: C25H52

dicycloverine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001238
inchi: InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
formula: C19H35NO2
cas number: 77-19-0
cas number: 104959-55-9
iupac name: 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate @en
notation: Dccvrne
inchikey: CURUTKGFNZGFSE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2
pubchem: 3042

triethylamine-triclopyr
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003971
notation: TC2yAeTcpr
pubchem: 42163
inchikey: ROKVVMOXSZIDEG-UHFFFAOYSA-N
formula: C13H19Cl3N2O3
inchi: InChI=1S/C7H4Cl3NO3.C6H15N/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13;1-4-7(5-2)6-3/h1H,2H2,(H,12,13);4-6H2,1-3H3
in scheme: Conceptschema Chemische Stoffen
cas number: 57213-69-1
smiles: CCN(CC)CC.C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl
iupac name: N,N-diethylethanamine; 2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid @en

dihexadecyldimethylammonium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]
inchi: InChI=1S/C34H72N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1
formula: C34H72BrN
notation: DC16yDC1yNH4
iupac name: dihexadecyl-dimethylazanium bromide @en
inchikey: VIXPKJNAOIWFMW-UHFFFAOYSA-M
pubchem: 9808235
broader: CHEMONTID_0004225
cas number: 70755-47-4
alternative label: dihexadecyldimethylammonium bromide

valeriaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
pubchem: 7991
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000333
formula: C5H10O2
iupac name: Pentanoic acid @en
notation: valrazr
inchikey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
cas number: 12124-87-7
cas number: 109-52-4
smiles: CCCCC(=O)O

3,7,11,15-tetramethyl-1hexadecanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: AJAKLDUGVSKVDG-UHFFFAOYSA-N
broader: CHEMONTID_0001357
cas number: 645-72-7
smiles: CC(C)CCCC(C)CCCC(C)CCCC(C)CCO
pubchem: 102459
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,7,11,15-Tetramethylhexadecan-1-ol @en
notation: 371115T4C1y1
formula: C20H42O
inchi: InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3

ethylbutylactetylaminopropionaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: ethyl 3-(acetyl-butylamino)propanoate @en
pubchem: 104150
in scheme: Conceptschema Chemische Stoffen
cas number: 52304-36-6
cas number: 362607-57-6
notation: EBAAP
formula: C11H21NO3
broader: CHEMONTID_0001664
inchikey: VZRKEAFHFMSHCD-UHFFFAOYSA-N
smiles: CCCCN(CCC(=O)OCC)C(=O)C
inchi: InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3

iso-amylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: MLFHJEHSLIIPHL-UHFFFAOYSA-N
smiles: CC(C)CCOC(=O)C
broader: CHEMONTID_0001238
pubchem: 31276
iupac name: 3-Methylbutyl acetate @en
inchi: InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
notation: iamactt
cas number: 123-92-2
cas number: 29732-50-1
in scheme: Conceptschema Chemische Stoffen
formula: C7H14O2

cyfluthrin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 83855-46-3
cas number: 68359-37-5
notation: cyftn
in scheme: Conceptschema Chemische Stoffen
pubchem: 104926
inchikey: QQODLKZGRKWIFG-UHFFFAOYSA-N
iupac name: [cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
formula: C22H18Cl2FNO3
broader: CHEMONTID_0001461

1,3,5-triazine-2,4,6-triamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C1(=NC(=NC(=N1)N)N)N
inchikey: JDSHMPZPIAZGSV-UHFFFAOYSA-N
cas number: 94977-27-2
cas number: 68379-55-5
cas number: 67757-43-1
cas number: 130392-03-9
cas number: 70371-19-6
cas number: 169314-62-9
cas number: 504-18-7
cas number: 65544-34-5
cas number: 108-78-1
broader: CHEMONTID_0004105
iupac name: 1,3,5-Triazine-2,4,6-triamine @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
formula: C3H6N6
pubchem: 7955
notation: 135Tazn246TA
alternative label: 1,3,5-Triazine-2,4,6-triamine (Melamine)

pyridalyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: pyrdll
inchikey: AEHJMNVBLRLZKK-UHFFFAOYSA-N
iupac name: 2-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(trifluoromethyl)pyridine @en
in scheme: Conceptschema Chemische Stoffen
formula: C18H14Cl4F3NO3
broader: CHEMONTID_0002564
pubchem: 11488729
cas number: 179101-81-6

ytterbium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 110424-81-2
cas number: 7440-64-4
pubchem: 23992
inchi: InChI=1S/Yb
inchikey: NAWDYIZEMPQZHO-UHFFFAOYSA-N
broader: CHEMONTID_0000429
smiles: [Yb]
in scheme: Conceptschema Chemische Stoffen
iupac name: YTTERBIUM @en
formula: Yb
notation: Yb

loperamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000369
formula: C29H34Cl2N2O2
notation: lopAd
iupac name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-di(phenyl)butanamide hydrochloride @en
inchi: InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H
cas number: 34552-83-5
cas number: 53179-11-6
pubchem: 71420
inchikey: PGYPOBZJRVSMDS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

2-hexanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 11583
smiles: CCCCC(=O)C
iupac name: hexan-2-one @en
inchikey: QQZOPKMRPOGIEB-UHFFFAOYSA-N
broader: CHEMONTID_0000118
cas number: 30637-87-7
cas number: 591-78-6
inchi: InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
formula: C6H12O
in scheme: Conceptschema Chemische Stoffen
notation: 2C6on

mendelevium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 23943
broader: CHEMONTID_0000430
inchi: InChI=1S/Md
inchikey: MQVSLOYRCXQRPM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: Md
smiles: [Md]
notation: Md
iupac name: MENDELEVIUM @en
cas number: 7440-11-1

milbemycin A4
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
alternative label: milbemycin a4
iupac name: (1R,4S,6R,8R,10E,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one @en
cas number: 51596-11-3
inchi: InChI=1S/C32H46O7/c1-6-27-21(4)12-13-31(39-27)17-25-16-24(38-31)11-10-20(3)14-19(2)8-7-9-23-18-36-29-28(33)22(5)15-26(30(34)37-25)32(23,29)35/h7-10,15,19,21,24-29,33,35H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+/t19?,21?,24-,25+,26+,27?,28-,29-,31-,32-/m1/s1
broader: CHEMONTID_0002902
inchikey: VOZIAWLUULBIPN-DFYAAVTESA-N
in scheme: Conceptschema Chemische Stoffen
notation: milbmcA4
pubchem: 6436669
formula: C32H46O7

difenacoum
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: NZOWVZVFSVRNOR-UHFFFAOYSA-N
pubchem: 41735
in scheme: Conceptschema Chemische Stoffen
cas number: 56073-07-5
notation: Dfncm
formula: C31H24O3
broader: CHEMONTID_0002044
iupac name: 2-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-4-one @en
inchi: InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,33H,18-19H2

acrylonitrile
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 29754-21-0
cas number: 63908-52-1
cas number: 107-13-1
broader: CHEMONTID_0000362
alternative label: acrylonitril
inchikey: NLHHRLWOUZZQLW-UHFFFAOYSA-N
inchi: InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
smiles: C=CC#N
in scheme: Conceptschema Chemische Stoffen
iupac name: prop-2-enenitrile @en
pubchem: 7855
comment: VLAR II Art. 5.7.1.4/ Art. 5.7.7.1/Art. 5.7.13.1
comment: VLAREM II bijlage 4.4.2
formula: C3H3N
notation: aclntl

pyributicarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: VTRWMTJQBQJKQH-UHFFFAOYSA-N
formula: C18H22N2O2S
inchi: InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3
iupac name: O-(3-tert-butylphenyl) [(6-methoxypyridin-2-yl)-methylamino]methanethioate @en
broader: CHEMONTID_0002811
notation: pyrbtcb
in scheme: Conceptschema Chemische Stoffen
pubchem: 93486
cas number: 88678-67-5

2,4-dichloorbifenyl (pcb 7)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0003030
formula: C12H8Cl2
smiles: C1=CC=C(C=C1)C2=C(C=C(C=C2)Cl)Cl
pubchem: 36399
in scheme: Conceptschema Chemische Stoffen
cas number: 33284-50-3
iupac name: 2,4-dichloro-1-phenylbenzene @en
inchikey: WEJZHZJJXPXXMU-UHFFFAOYSA-N
inchi: InChI=1S/C12H8Cl2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H

dichlobenil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0002564
inchi: InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
cas number: 1194-65-6
cas number: 104809-79-2
in scheme: Conceptschema Chemische Stoffen
pubchem: 3031
formula: C7H3Cl2N
notation: Dcbnl
iupac name: 2,6-Dichlorobenzonitrile @en
smiles: C1=CC(=C(C(=C1)Cl)C#N)Cl
inchikey: YOYAIZYFCNQIRF-UHFFFAOYSA-N

tau-fluvalinaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: INISTDXBRIBGOC-XMMISQBUSA-N
formula: C26H22ClF3N2O3
in scheme: Conceptschema Chemische Stoffen
notation: taufvlnt
cas number: 102851-06-9
broader: CHEMONTID_0004155
pubchem: 91768
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-[[2-chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoate @en

nonacosaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C29H60
notation: C29a
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
iupac name: Nonacosane @en
cas number: 630-03-5
pubchem: 12409
broader: CHEMONTID_0002500
inchikey: IGGUPRCHHJZPBS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

(24s)-ergosta-5,22(e)-dien-3beta-ol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C28H46O
inchikey: OILXMJHPFNGGTO-BQYQJAHWSA-N
iupac name: ['17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol', '17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol'] @en
inchi: InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+
notation: 24Segs522E-d
broader: CHEMONTID_0001403
pubchem: 5365965
alternative label: (24S)-ergosta-5,22(E)-dien-3beta-ol
in scheme: Conceptschema Chemische Stoffen
cas number: 17472-78-5

hexacosaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 12407
broader: CHEMONTID_0002500
iupac name: HEXACOSANE @en
notation: C26a
formula: C26H54
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCC
cas number: 630-01-3
inchikey: HMSWAIKSFDFLKN-UHFFFAOYSA-N

cyprofuram
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C14H14ClNO3/c15-10-2-1-3-11(8-10)16(13(17)9-4-5-9)12-6-7-19-14(12)18/h1-3,8-9,12H,4-7H2
in scheme: Conceptschema Chemische Stoffen
iupac name: N-(3-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide @en
cas number: 69581-33-5
inchikey: KRZUZYJEQBXUIN-UHFFFAOYSA-N
notation: cypfrm
broader: CHEMONTID_0000394
smiles: C1CC1C(=O)N(C2CCOC2=O)C3=CC(=CC=C3)Cl
formula: C14H14ClNO3
pubchem: 50590

secobarbital
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 76-73-3
cas number: 29071-21-4
in scheme: Conceptschema Chemische Stoffen
iupac name: 5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione @en
formula: C12H18N2O3
inchikey: KQPKPCNLIDLUMF-UHFFFAOYSA-N
smiles: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
notation: secbbtl
pubchem: 5193
inchi: InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
broader: CHEMONTID_0000292

naftaleen-2,7-disulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: VILFVXYKHXVYAB-UHFFFAOYSA-N
pubchem: 66707
notation: Naf27Dsfzr
broader: CHEMONTID_0003601
formula: C10H8O6S2
inchi: InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h1-6H,(H,11,12,13)(H,14,15,16)
cas number: 92-41-1
iupac name: Naphthalene-2,7-disulfonic acid @en
in scheme: Conceptschema Chemische Stoffen

spinosad
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-(2,3,4-trimethoxy-5-methylcyclohexyl)oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosane-13,21-dione @en
inchikey: RQOIAWYOVOXMST-UHFFFAOYSA-N
notation: spinsd
in scheme: Conceptschema Chemische Stoffen
cas number: 168316-95-8
formula: C42H71NO9
broader: CHEMONTID_0001675
inchi: InChI=1S/C42H71NO9/c1-10-27-12-11-13-35(52-38-17-16-34(43(5)6)25(4)49-38)24(3)39(45)33-21-31-29(32(33)22-37(44)51-27)15-14-26-19-28(20-30(26)31)50-36-18-23(2)40(46-7)42(48-9)41(36)47-8/h23-36,38,40-42H,10-22H2,1-9H3
pubchem: 91782

trans-fluoxastrobin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0002463
in scheme: Conceptschema Chemische Stoffen
inchikey: UFEODZBUAFNAEU-NLRVBDNBSA-N
cas number: 361377-29-9
notation: tfluoxsbn
formula: C21H16ClFN4O5
pubchem: 11048796
iupac name: 1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine @en

2,3,7-trimethyloctaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C11H24/c1-9(2)7-6-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3
broader: CHEMONTID_0004620
smiles: CC(C)CCCC(C)C(C)C
cas number: 62016-34-6
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,3,7-TRIMETHYLOCTANE @en
pubchem: 43867
formula: C11H24
inchikey: XJKKSYAVEVAGFX-UHFFFAOYSA-N
notation: 237TC1yC8a

2,3,4,4-tetrachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C12H6Cl4
pubchem: 36185
broader: CHEMONTID_0003030
inchi: InChI=1S/C12H6Cl4/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6H
iupac name: 1,2-dichloro-4-(2,4-dichlorophenyl)benzene @en
inchikey: RKLLTEAEZIJBAU-UHFFFAOYSA-N
cas number: 32598-10-0
notation: PCB66
smiles: C1=CC(=C(C=C1C2=C(C=C(C=C2)Cl)Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen

formothion
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3
smiles: CN(C=O)C(=O)CSP(=S)(OC)OC
cas number: 2540-82-1
in scheme: Conceptschema Chemische Stoffen
inchikey: AIKKULXCBHRFOS-UHFFFAOYSA-N
iupac name: 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-methylacetamide @en
formula: C6H12NO4PS2
broader: CHEMONTID_0001658
notation: formton
pubchem: 17345

isopropoxyethanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
inchikey: HCGFUIQPSOCUHI-UHFFFAOYSA-N
notation: ipropxC2ol
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)OCCO
pubchem: 7996
formula: C5H12O2
broader: CHEMONTID_0001167
cas number: 63992-09-6
cas number: 109-59-1
iupac name: 2-propan-2-yloxyethanol @en

irbesartan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000041
notation: irbstan
formula: C25H28N6O
in scheme: Conceptschema Chemische Stoffen
cas number: 138402-11-6
iupac name: 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one @en
inchikey: YOSHYTLCDANDAN-UHFFFAOYSA-N
inchi: InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
pubchem: 3749

aminopyralid
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C6H4Cl2N2O2
pubchem: 213012
broader: CHEMONTID_0002414
in scheme: Conceptschema Chemische Stoffen
cas number: 150114-71-9
smiles: C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N
inchi: InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)
inchikey: NIXXQNOQHKNPEJ-UHFFFAOYSA-N
notation: Aoprld
iupac name: 4-amino-3,6-dichloropyridine-2-carboxylic acid @en

benoxacor
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 62306
broader: CHEMONTID_0001396
inchi: InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3
formula: C11H11Cl2NO2
smiles: CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl
cas number: 98730-04-2
iupac name: 2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone @en
inchikey: PFJJMJDEVDLPNE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: benoacr

2,2',4,4',5-pentabroomdifenylether (bde99)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
alternative label: 2,2',4,4',5-pentabroomdifenylether
alternative label: bde 99
alternative label: pentabroomdifenylether
cas number: 32534-81-9
cas number: 60348-60-9
cas number: 132405-96-0
cas number: 134206-43-2
inchikey: WHPVYXDFIXRKLN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C12H5Br5O
broader: CHEMONTID_0001845
iupac name: 1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene @en
pubchem: 36159
notation: PBDE99
inchi: InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H

thulium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7440-30-4
cas number: 69527-01-1
cas number: 29687-68-1
cas number: 110424-80-1
iupac name: THULIUM @en
broader: CHEMONTID_0000429
pubchem: 23961
notation: Tm
formula: Tm
in scheme: Conceptschema Chemische Stoffen
inchikey: FRNOGLGSGLTDKL-UHFFFAOYSA-N
smiles: [Tm]
inchi: InChI=1S/Tm

chloorbromuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CN(C(=O)NC1=CC(=C(C=C1)Br)Cl)OC
broader: CHEMONTID_0001935
inchikey: NLYNUTMZTCLNOO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 13360-45-7
pubchem: 25912
formula: C9H10BrClN2O2
notation: Clbmrn
iupac name: 3-(4-Bromo-3-chlorophenyl)-1-methoxy-1-methylurea @en

jodide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 30165
iupac name: Iodide @en
inchi: InChI=1S/HI/h1H/p-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000432
smiles: [I-]
inchikey: XMBWDFGMSWQBCA-UHFFFAOYSA-M
notation: I
formula: I-
cas number: 20461-54-5

perfluor-n-octadecaanzuur (pfoda)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002949
formula: C18HF35O2
cas number: 16517-11-6
notation: PFODA
notation: PFC18azr
inchi: InChI=1S/C18HF35O2/c19-2(20,1(54)55)3(21,22)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)53/h(H,54,55)
alternative label: perfluoroctadecaanzuur
alternative label: perfluor-n-octadecaanzuur
in scheme: Conceptschema Chemische Stoffen
inchikey: ZTSDOGSKTICNPQ-UHFFFAOYSA-N
pubchem: 167547
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluorooctadecanoic acid @en

benzylisopentylether
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 122-73-6
iupac name: 3-methylbutoxymethylbenzene @en
notation: benziC5yEtr
broader: CHEMONTID_0002542
formula: C12H18O
smiles: CC(C)CCOCC1=CC=CC=C1
inchi: InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
inchikey: RXXCIBALSKQCAE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 31227

1-butaanthiol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: WQAQPCDUOCURKW-UHFFFAOYSA-N
broader: CHEMONTID_0001212
notation: 1C4atol
inchi: InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
cas number: 23601-34-5
cas number: 109-79-5
cas number: 32812-85-4
pubchem: 8012
in scheme: Conceptschema Chemische Stoffen
iupac name: butane-1-thiol @en
smiles: CCCCS
formula: C4H10S

triisobutylfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 126-71-6
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
inchikey: HRKAMJBPFPHCSD-UHFFFAOYSA-N
pubchem: 31355
iupac name: tris(2-methylpropyl) phosphate @en
smiles: CC(C)COP(=O)(OCC(C)C)OCC(C)C
formula: C12H27O4P
notation: TiC4yPO4
inchi: InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3

tellurium 133
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: PORWMNRCUJJQNO-BKFZFHPZSA-N
notation: Te133
pubchem: 6337091
iupac name: tellurium-133 @en
inchi: InChI=1S/Te/i1+5
in scheme: Conceptschema Chemische Stoffen
formula: Te
cas number: 15759-52-1
smiles: [Te]
broader: CHEMONTID_0000431

alfa-hydroxymetoprolol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CC(C)NCC(COC1=CC=C(C=C1)C(COC)O)O
formula: C15H25NO4
inchikey: OFRYBPCSEMMZHR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002341
inchi: InChI=1S/C15H25NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,15-18H,8-10H2,1-3H3
pubchem: 114962
cas number: 56392-16-6
iupac name: 1-[4-(1-hydroxy-2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
notation: aHOxmtpll

aminomethylfosfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 14017
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
broader: CHEMONTID_0001302
alternative label: ampa
cas number: 1066-51-9
notation: AMPA
formula: CH6NO3P
smiles: C(N)P(=O)(O)O
iupac name: AMINOMETHYLPHOSPHONIC ACID @en
inchikey: MGRVRXRGTBOSHW-UHFFFAOYSA-N

levamisol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/t10-;/m1./s1
inchikey: LAZPBGZRMVRFKY-HNCPQSOCSA-N
cas number: 24593-45-1
cas number: 74191-78-9
cas number: 14769-73-4
cas number: 39170-95-1
cas number: 16595-80-5
formula: C11H13ClN2S
pubchem: 27944
notation: levmsl
iupac name: (6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole hydrochloride @en
broader: CHEMONTID_0000756
smiles: C1CSC2=NC(CN21)C3=CC=CC=C3.Cl

waterstoffluoride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 2.5.1 'fluorwaterstof'
comment: VLAR III (D3) 'HF'
comment: VLAR II (D5) 'HF'
comment: VLAR III (D3) 'waterstoffluoride(HF)'
alternative label: waterstoffluoride (HF)
alternative label: waterstoffluoride (hf)
inchi: InChI=1S/FH/h1H
cas number: 7664-39-3
cas number: 32057-09-3
cas number: 37249-79-9
notation: HF
in scheme: Conceptschema Chemische Stoffen
inchikey: KRHYYFGTRYWZRS-UHFFFAOYSA-N
smiles: F
formula: FH
iupac name: ['Hydrogen fluoride', 'hydron fluoride'] @en
is referenced by: LUC III 006
pubchem: 14917
broader: CHEMONTID_0000548

1-chloorpentaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 543-59-9
cas number: 29656-63-1
inchi: InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001516
inchikey: SQCZQTSHSZLZIQ-UHFFFAOYSA-N
pubchem: 10977
notation: 1ClC5a
smiles: CCCCCCl
iupac name: 1-Chloropentane @en
formula: C5H11Cl

2-fenoxyethanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002341
iupac name: 2-(phenoxy)ethanol @en
smiles: C1=CC=C(C=C1)OCCO
cas number: 37220-49-8
cas number: 122-99-6
cas number: 56257-90-0
cas number: 79586-53-1
cas number: 18249-17-7
cas number: 134367-25-2
cas number: 200260-63-5
cas number: 9004-78-8
inchikey: QCDWFXQBSFUVSP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C8H10O2
inchi: InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
pubchem: 31236
notation: 2fenOxC2ol

ceftriaxon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 9570832
cas number: 73384-59-5
cas number: 74578-69-1
formula: C18H17N8NaO7S3
in scheme: Conceptschema Chemische Stoffen
inchikey: YOBPSXOHCHDCMU-VKZZUTNHSA-M
broader: CHEMONTID_0001189
inchi: InChI=1S/C18H18N8O7S3.Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);/q;+1/p-1/b24-8-;/t9-,15-;/m1./s1
notation: cefTaxn
iupac name: sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en

5-cholestene
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3
iupac name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene @en
cas number: 570-74-1
pubchem: 11300
inchikey: DTGDZMYNKLTSKC-UHFFFAOYSA-N
formula: C27H46
broader: CHEMONTID_0003566
notation: 5choletne
in scheme: Conceptschema Chemische Stoffen

bismuth 212
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000427
iupac name: bismuth-212 @en
inchi: InChI=1S/Bi/i1+3
formula: Bi
pubchem: 6335500
in scheme: Conceptschema Chemische Stoffen
inchikey: JCXGWMGPZLAOME-AKLPVKDBSA-N
notation: Bi212
smiles: [Bi]
cas number: 14913-49-6

1-hexadeceen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: GQEZCXVZFLOKMC-UHFFFAOYSA-N
cas number: 629-73-2
cas number: 26952-14-7
cas number: 68855-59-4
formula: C16H32
inchi: InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
broader: CHEMONTID_0004476
pubchem: 12395
in scheme: Conceptschema Chemische Stoffen
notation: 1C16e
iupac name: hexadec-1-ene @en
smiles: CCCCCCCCCCCCCCC=C

amidotrizoïnezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 2140
cas number: 117-96-4
notation: amdTzinzr
broader: CHEMONTID_0003097
inchikey: YVPYQUNUQOZFHG-UHFFFAOYSA-N
inchi: InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)
formula: C11H9I3N2O4
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,5-Diacetamido-2,4,6-triiodobenzoic acid @en

terbufos-sulfon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: terbfsfn
smiles: CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C
broader: CHEMONTID_0004164
cas number: 56070-16-7
inchi: InChI=1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3
in scheme: Conceptschema Chemische Stoffen
inchikey: DWZSTEUTHNUVQD-UHFFFAOYSA-N
formula: C9H21O4PS3
pubchem: 41718
iupac name: tert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en

endosulfanlacton
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: endsfltn
inchikey: GIUKJJMBQBRFTN-UHFFFAOYSA-N
formula: C9H4Cl6O2
pubchem: 145710
broader: CHEMONTID_0001245
cas number: 3868-61-9
iupac name: 1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H4Cl6O2/c10-4-5(11)8(13)3-2(1-17-6(3)16)7(4,12)9(8,14)15/h2-3H,1H2

2,2',3,3',4,5,6-heptachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: KJBDZJFSYQUNJT-UHFFFAOYSA-N
cas number: 40186-70-7
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-4-1-5(10(17)7(15)2-4)9-6(14)3-8(16)11(18)12(9)19/h1-3H
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,5-tetrachloro-4-(2,3,5-trichlorophenyl)benzene @en
notation: PCB175
broader: CHEMONTID_0003030
pubchem: 91633

fluazolaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 174514-07-9
pubchem: 3083545
in scheme: Conceptschema Chemische Stoffen
notation: fluazlt
iupac name: propan-2-yl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoate @en
formula: C15H12BrClF4N2O2
inchikey: FKLQIONHGSFYJY-UHFFFAOYSA-N
broader: CHEMONTID_0002019

hydramethylnon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C25H24F6N4
in scheme: Conceptschema Chemische Stoffen
inchikey: IQVNEKKDSLOHHK-FNCQTZNRSA-N
cas number: 67485-29-4
cas number: 70829-12-8
notation: hydC1ynn
inchi: InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)/b13-7+,14-8+
broader: CHEMONTID_0004551
iupac name: ['N-[1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylideneamino]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine', 'N-[[(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene]amino]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine'] @en
pubchem: 5281875

flurprimidol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C15H15F3N2O2
pubchem: 73668
inchi: InChI=1S/C15H15F3N2O2/c1-10(2)14(21,12-7-19-9-20-8-12)11-3-5-13(6-4-11)22-15(16,17)18/h3-10,21H,1-2H3
cas number: 56425-91-3
cas number: 77125-41-8
in scheme: Conceptschema Chemische Stoffen
notation: flurpmdl
inchikey: VEVZCONIUDBCDC-UHFFFAOYSA-N
iupac name: 2-methyl-1-pyrimidin-5-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol @en
broader: CHEMONTID_0002811

cymiazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C12H14N2S
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC(=C(C=C1)N=C2N(C=CS2)C)C
inchi: InChI=1S/C12H14N2S/c1-9-4-5-11(10(2)8-9)13-12-14(3)6-7-15-12/h4-8H,1-3H3
iupac name: N-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-imine @en
inchikey: YUAUPYJCVKNAEC-UHFFFAOYSA-N
notation: cymazl
pubchem: 43714
broader: CHEMONTID_0004209
cas number: 61676-87-7

2,6-dichloor-4-nitroaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 7430
notation: 26DCl4NO2An
broader: CHEMONTID_0000036
iupac name: 2,6-Dichloro-4-nitroaniline @en
cas number: 58916-70-4
cas number: 99-30-9
in scheme: Conceptschema Chemische Stoffen
smiles: C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
formula: C6H4Cl2N2O2
inchikey: BIXZHMJUSMUDOQ-UHFFFAOYSA-N
inchi: InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2

butocarboximsulfoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: RCTCYOQIGNPQJH-WEVVVXLNSA-N
notation: butcbOxmSO
inchi: InChI=1S/C7H14N2O3S/c1-5(6(2)13(4)11)9-12-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+
broader: CHEMONTID_0004752
formula: C7H14N2O3S
iupac name: (3-methylsulfinylbutan-2-ylideneamino) N-methylcarbamate @en
pubchem: 9576739
in scheme: Conceptschema Chemische Stoffen
cas number: 34681-24-8
smiles: CC(C(=NOC(=O)NC)C)S(=O)C

zwavelhexafluoride (SF6)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: zwavelhexafluoride (sf6)
alternative label: zwavelhexafluoride
pubchem: 17358
notation: SF6
in scheme: Conceptschema Chemische Stoffen
cas number: 36575-03-8
cas number: 2551-62-4
cas number: 29267-82-1
cas number: 59109-69-2
smiles: FS(F)(F)(F)(F)F
inchikey: SFZCNBIFKDRMGX-UHFFFAOYSA-N
iupac name: hexafluoro-lambda6-sulfane @en
comment: VLAR II (D1, definities broeikasgassen)
formula: F6S
broader: CHEMONTID_0000437
inchi: InChI=1S/F6S/c1-7(2,3,4,5)6

octachloorstyreen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001099
cas number: 62601-62-1
cas number: 29082-74-4
notation: OcClsrn
inchikey: RUYUCCQRWINUHE-UHFFFAOYSA-N
pubchem: 34466
in scheme: Conceptschema Chemische Stoffen
formula: C8Cl8
inchi: InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12
iupac name: 1,2,3,4,5-pentachloro-6-(1,2,2-trichloroethenyl)benzene @en

kalium 40
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/K/i1+1
inchikey: ZLMJMSJWJFRBEC-OUBTZVSYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: [K]
broader: CHEMONTID_0000425
pubchem: 6328542
iupac name: potassium-40 @en
notation: K40
formula: K
cas number: 13966-00-2

5,6-dimethyl-1h-benzotriazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 56DC1y1Hbzt2
broader: CHEMONTID_0000315
pubchem: 77849
in scheme: Conceptschema Chemische Stoffen
alternative label: 5,6-dimethyl-1H-benzotriazool
formula: C8H9N3
inchikey: MVPKIPGHRNIOPT-UHFFFAOYSA-N
iupac name: 5,6-dimethyl-2H-benzotriazole @en
smiles: CC1=CC2=NNN=C2C=C1C
inchi: InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11)
cas number: 4184-79-6

titaandioxide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 39360-64-0
cas number: 37230-94-7
cas number: 221548-98-7
cas number: 39320-58-6
cas number: 195740-11-5
cas number: 37230-96-9
cas number: 12789-63-8
cas number: 39379-02-7
cas number: 101239-53-6
cas number: 55068-84-3
cas number: 13463-67-7
cas number: 62338-64-1
cas number: 246178-32-5
cas number: 55068-85-4
cas number: 185828-91-5
cas number: 1344-29-2
cas number: 1317-70-0
cas number: 12701-76-7
cas number: 252962-41-7
cas number: 98084-96-9
cas number: 1317-80-2
cas number: 1309-63-3
cas number: 188357-76-8
cas number: 37230-92-5
cas number: 224963-00-2
cas number: 37230-95-8
cas number: 185323-71-1
cas number: 12767-65-6
cas number: 12036-20-3
cas number: 188357-79-1
cas number: 116788-85-3
cas number: 12000-59-8
notation: TiO2
inchi: InChI=1S/2O.Ti
formula: O2Ti
broader: CHEMONTID_0000538
iupac name: dioxotitanium @en
smiles: O=[Ti]=O
pubchem: 26042
inchikey: GWEVSGVZZGPLCZ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
is referenced by: WAC III B 002

tetrachloorvinfos (mixed isomeren)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 5842000
cas number: 22248-79-9
cas number: 961-11-5
broader: CHEMONTID_0000037
notation: cT4Clvfs
notation: T4Clvfs
in scheme: Conceptschema Chemische Stoffen
alternative label: cis-tetrachloorvinfos (Z-isomeer)
alternative label: cis-tetrachloorvinfos (z-isomeer)
alternative label: tetrachloorvinfos
inchikey: UBCKGWBNUIFUST-BJMVGYQFSA-N
formula: C10H9Cl4O4P
iupac name: [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate @en
inchi: InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5+

2,2',4,5'-tetrabroombifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: PBB49
inchikey: PALAXWMMBSLIDB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003954
iupac name: 1,2,4-tribromo-5-(2-bromophenyl)benzene @en
pubchem: 3017170
cas number: 60044-24-8
smiles: C1=CC=C(C(=C1)C2=CC(=C(C=C2Br)Br)Br)Br
formula: C12H6Br4
inchi: InChI=1S/C12H6Br4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H

(2,4,5-trichloorfenoxy)azijnzuur (2,4,5-t)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 93-76-5
alternative label: 2,4,5-trichloorfenoxyazijnzuur
alternative label: (2,4,5-trichloorfenoxy)-azijnzuur (2,4,5-t)
inchikey: SMYMJHWAQXWPDB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004525
iupac name: 2-(2,4,5-trichlorophenoxy)acetic acid @en
inchi: InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
pubchem: 1480
smiles: C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O
notation: 245T
formula: C8H5Cl3O3

3-methyl-1,2-cyclopentaandion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: OACYKCIZDVVNJL-UHFFFAOYSA-N
broader: CHEMONTID_0003487
inchi: InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3
notation: 3C1y12ccC5aD
formula: C6H8O2
cas number: 79299-96-0
cas number: 765-70-8
iupac name: 3-Methylcyclopentane-1,2-dione @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC1CCC(=O)C1=O
pubchem: 61209

3,4,5-trimethylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 345TC1yAn
inchi: InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3
smiles: CC1=CC(=CC(=C1C)C)N
formula: C9H13N
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,4,5-Trimethylaniline @en
cas number: 1639-31-2
pubchem: 74227
broader: CHEMONTID_0000284
inchikey: BXCUMAUHMPSRPZ-UHFFFAOYSA-N

2,4-dimethylquinoline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1198-37-4
inchikey: ZTNANFDSJRRZRJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001253
pubchem: 14536
smiles: CC1=CC(=NC2=CC=CC=C12)C
iupac name: 2,4-Dimethylquinoline @en
inchi: InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3
formula: C11H11N
notation: 24DC1yqnlne

1,3,5-trichloor-2,4,6-trimethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 138452
broader: CHEMONTID_0001099
notation: 135TCl246TC1
formula: C9H9Cl3
inchikey: VMNISWKTOHUZQN-UHFFFAOYSA-N
inchi: InChI=1S/C9H9Cl3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3
cas number: 5324-68-5
smiles: CC1=C(C(=C(C(=C1Cl)C)Cl)C)Cl
iupac name: 1,3,5-Trichloro-2,4,6-trimethylbenzene @en
in scheme: Conceptschema Chemische Stoffen

mebeverine amine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CCNC(C)CC1=CC=C(C=C1)OC
in scheme: Conceptschema Chemische Stoffen
formula: C12H19NO
pubchem: 85725
cas number: 14367-46-5
notation: mebvrnAm
inchikey: USBWBBAUWVUJLA-UHFFFAOYSA-N
iupac name: N-ethyl-1-(4-methoxyphenyl)propan-2-amine @en
inchi: InChI=1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3
broader: CHEMONTID_0000188

2,4-diamino-6-nitrotolueen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 24DAo6NO2Tol
smiles: CC1=C(C=C(C=C1[N+](=O)[O-])N)N
pubchem: 96177
cas number: 6629-29-4
inchi: InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3
formula: C7H9N3O2
inchikey: DFZSBQYOXAUYCB-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-methyl-5-nitrobenzene-1,3-diamine @en

d-glucitol, gepropoxyleerd
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 77108-21-5
cas number: 9044-18-2
cas number: 54538-29-3
cas number: 137331-90-9
cas number: 9063-27-8
cas number: 55500-89-5
cas number: 11119-96-3
cas number: 25776-41-4
cas number: 65455-14-3
cas number: 60454-51-5
cas number: 9041-10-5
cas number: 85113-87-7
cas number: 52625-13-5
cas number: 109224-17-1
cas number: 37324-91-7
inchikey: OJZGCEDLMNSDNY-UHFFFAOYSA-N
alternative label: D-glucitol, gepropoxyleerd
formula: C24H50O12
pubchem: 171178
inchi: InChI=1S/C24H50O12/c25-7-1-13-31-19-21(33-15-3-9-27)23(35-17-5-11-29)24(36-18-6-12-30)22(34-16-4-10-28)20-32-14-2-8-26/h21-30H,1-20H2
in scheme: Conceptschema Chemische Stoffen
iupac name: 3-[1,2,4,5,6-pentakis(3-hydroxypropoxy)hexan-3-yloxy]propan-1-ol @en
broader: CHEMONTID_0001540
notation: Dgluctgprop

tripropyleenglycol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001092
pubchem: 22833317
iupac name: 1-[1-(1-hydroxypropoxy)propan-2-yloxy]propan-1-ol @en
cas number: 24800-44-0
smiles: CCC(O)OCC(C)OC(CC)O
inchikey: SNAJJYBUNRAGEF-UHFFFAOYSA-N
notation: TC3yegcl
in scheme: Conceptschema Chemische Stoffen
formula: C9H20O4
inchi: InChI=1S/C9H20O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7-11H,4-6H2,1-3H3

triflumizool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: Tfmzl
pubchem: 91699
iupac name: N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine @en
in scheme: Conceptschema Chemische Stoffen
cas number: 99387-89-0
cas number: 68694-11-1
inchikey: HSMVPDGQOIQYSR-UHFFFAOYSA-N
broader: CHEMONTID_0004551
formula: C15H15ClF3N3O

5-methyl-2-hexanon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 5-Methylhexan-2-one @en
inchikey: FFWSICBKRCICMR-UHFFFAOYSA-N
pubchem: 8034
notation: 5C1y2C6on
in scheme: Conceptschema Chemische Stoffen
cas number: 110-12-3
broader: CHEMONTID_0000118
formula: C7H14O
smiles: CC(C)CCC(=O)C
inchi: InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3

triisopropylfosfaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C9H21O4P/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-9H,1-6H3
notation: TiC3yPO4
cas number: 513-02-0
inchikey: OXFUXNFMHFCELM-UHFFFAOYSA-N
smiles: CC(C)OP(=O)(OC(C)C)OC(C)C
iupac name: ['tripropan-2-yl phosphate', 'hydroxy-tri(propan-2-yloxy)phosphanium'] @en
broader: CHEMONTID_0003460
formula: C9H21O4P
pubchem: 68188
in scheme: Conceptschema Chemische Stoffen

rubidium 86
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: Rb86
iupac name: rubidium-86 @en
cas number: 14932-53-7
formula: Rb
inchikey: IGLNJRXAVVLDKE-OUBTZVSYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Rb/i1+1
pubchem: 6335499
broader: CHEMONTID_0000425
smiles: [Rb]

trichloormethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/CHCl3/c2-1(3)4/h1H
inchikey: HEDRZPFGACZZDS-UHFFFAOYSA-N
cas number: 8013-54-5
cas number: 67-66-3
alternative label: trichloormethaan (chloroform)
alternative label: chloroform
iupac name: Chloroform @en
comment: VLAR II bijl. 4.4.2 'trichloormethaan'
comment: , (syn: trichloormethaan)
formula: CHCl3
smiles: C(Cl)(Cl)Cl
notation: TClC1a
pubchem: 6212
is referenced by: LUC IV 011
is referenced by: LUC IV 002
broader: CHEMONTID_0004160
in scheme: Conceptschema Chemische Stoffen

5-chloor-2-methyl-2H-isothiazool-3-on
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 26172-55-4
cas number: 26530-03-0
cas number: 116680-96-7
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001030
notation: 5Cl2C1y2Hita
formula: C4H5Cl2NOS
pubchem: 117809
smiles: CN1C(=O)C=C(S1)Cl.Cl
inchi: InChI=1S/C4H4ClNOS.ClH/c1-6-4(7)2-3(5)8-6;/h2H,1H3;1H
iupac name: 5-chloro-2-methyl-1,2-thiazol-3-one hydrochloride @en
inchikey: RGVYUPIYFIVQDS-UHFFFAOYSA-N
alternative label: 5-chloor-2-methyl-2h-isothiazool-3-on

o-allylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 26761-75-1
cas number: 1745-81-9
pubchem: 15624
broader: CHEMONTID_0004647
notation: oallFol
inchikey: QIRNGVVZBINFMX-UHFFFAOYSA-N
smiles: C=CCC1=CC=CC=C1O
formula: C9H10O
inchi: InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
iupac name: 2-prop-2-enylphenol @en

diethyltoluamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CCN(CC)C(=O)C1=CC=CC(=C1)C
inchikey: MMOXZBCLCQITDF-UHFFFAOYSA-N
cas number: 94271-03-1
cas number: 134-62-3
formula: C12H17NO
pubchem: 4284
notation: DEET
iupac name: N,N-Diethyl-3-methylbenzamide @en
broader: CHEMONTID_0004223
inchi: InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3

kobalt 60
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: [Co]
cas number: 10198-40-0
inchi: InChI=1S/Co/i1+1
broader: CHEMONTID_0000426
inchikey: GUTLYIVDDKVIGB-OUBTZVSYSA-N
pubchem: 61492
in scheme: Conceptschema Chemische Stoffen
iupac name: cobalt-60 @en
notation: Co60
formula: Co

plutonium 237
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: OYEHPCDNVJXUIW-NOHWODKXSA-N
pubchem: 105138
smiles: [Pu]
notation: Pu237
formula: Pu
inchi: InChI=1S/Pu/i1-7
iupac name: plutonium-237 @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000430
cas number: 15411-93-5

ethiolaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCN(CC)C(=O)SCC
notation: etolt
cas number: 2941-55-1
pubchem: 18055
broader: CHEMONTID_0001368
iupac name: S-ethyl diethylaminomethanethioate @en
in scheme: Conceptschema Chemische Stoffen
formula: C7H15NOS
inchi: InChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3
inchikey: WARIWGPBHKPYON-UHFFFAOYSA-N

11-decyltetracosaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 55429-84-0
inchikey: BVMGLUHWZZEDRX-UHFFFAOYSA-N
broader: CHEMONTID_0004620
notation: 11C10yC24a
iupac name: 11-decyltetracosane @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C34H70/c1-4-7-10-13-16-19-20-21-24-27-30-33-34(31-28-25-22-17-14-11-8-5-2)32-29-26-23-18-15-12-9-6-3/h34H,4-33H2,1-3H3
pubchem: 294707
smiles: CCCCCCCCCCCCCC(CCCCCCCCCC)CCCCCCCCCC
formula: C34H70

diosgenin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol @en
inchikey: WQLVFSAGQJTQCK-VKROHFNGSA-N
notation: diognn
formula: C27H42O3
cas number: 512-04-9
broader: CHEMONTID_0001553
inchi: InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
in scheme: Conceptschema Chemische Stoffen
pubchem: 99474

2-octyl-2h-isothiazool-3-on
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 2-octyl-1,2-thiazol-3-one @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
cas number: 12673-72-2
cas number: 53028-82-3
cas number: 122667-23-6
cas number: 26530-20-1
pubchem: 33528
inchikey: JPMIIZHYYWMHDT-UHFFFAOYSA-N
notation: 2C8y2Hitaz3o
broader: CHEMONTID_0000095
formula: C11H19NOS
smiles: CCCCCCCCN1C(=O)C=CS1
alternative label: 2-octyl-2H-isothiazool-3-on

1-nonadeceen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: Nonadec-1-ene @en
broader: CHEMONTID_0004476
formula: C19H38
smiles: CCCCCCCCCCCCCCCCCC=C
cas number: 18435-45-5
cas number: 27400-77-7
pubchem: 29075
notation: 1C19e
inchikey: NHLUYCJZUXOUBX-UHFFFAOYSA-N
inchi: InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3
in scheme: Conceptschema Chemische Stoffen

cupferron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: NJVHCUNZAMFQNA-UHFFFAOYSA-N
cas number: 21255-91-4
cas number: 148-97-0
cas number: 135-20-6
cas number: 7564-70-7
pubchem: 8664
smiles: C1=CC=C(C=C1)N(N=O)O.N
formula: C6H9N3O2
inchi: InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,10H;1H3
in scheme: Conceptschema Chemische Stoffen
iupac name: azane; N-hydroxy-N-phenylnitrous amide @en
broader: CHEMONTID_0000113
notation: cupfrn

thorium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000430
pubchem: 23960
notation: Th232
notation: Th
alternative label: thorium 232
inchi: InChI=1S/Th
inchikey: ZSLUVFAKFWKJRC-UHFFFAOYSA-N
iupac name: THORIUM @en
in scheme: Conceptschema Chemische Stoffen
smiles: [Th]
formula: Th
cas number: 7440-29-1
cas number: 24738-30-5
cas number: 15117-56-3

nobelium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 10028-14-5
inchikey: ORQBXQOJMQIAOY-UHFFFAOYSA-N
inchi: InChI=1S/No
formula: No
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000430
pubchem: 24822
notation: No
iupac name: NOBELIUM @en
smiles: [No]

pentachloornitrobenzeen (quintozeen)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: LKPLKUMXSAEKID-UHFFFAOYSA-N
inchi: InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
formula: C6Cl5NO2
iupac name: 1,2,3,4,5-pentachloro-6-nitrobenzene @en
notation: PeClNO2Ben
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
pubchem: 6720
cas number: 56573-57-0
cas number: 39378-26-2
cas number: 55353-34-9
cas number: 82-68-8
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]
alternative label: pentachloornitrobenzeen

azimsulfuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea @en
inchi: InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)
in scheme: Conceptschema Chemische Stoffen
cas number: 120162-55-2
inchikey: MAHPNPYYQAIOJN-UHFFFAOYSA-N
pubchem: 86355
formula: C13H16N10O5S
notation: azsfrn
broader: CHEMONTID_0004705

propyleenglycolmonomethyletheracetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 108-65-6
cas number: 142300-82-1
notation: PGMEA
formula: C6H12O3
broader: CHEMONTID_0001238
smiles: CC(COC)OC(=O)C
inchi: InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3
pubchem: 7946
iupac name: 1-methoxypropan-2-yl acetate @en
inchikey: LLHKCFNBLRBOGN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

protactinium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: Pa
iupac name: PROTACTINIUM @en
cas number: 7440-13-3
notation: Pa
inchikey: XLROVYAPLOFLNU-UHFFFAOYSA-N
broader: CHEMONTID_0000430
smiles: [Pa]
pubchem: 23945
inchi: InChI=1S/Pa

polonium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 6328143
formula: Po
cas number: 56797-55-8
cas number: 7440-08-6
notation: Po
smiles: [Po]
inchi: InChI=1S/Po
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000431
inchikey: HZEBHPIOVYHPMT-UHFFFAOYSA-N
iupac name: POLONIUM @en

mirex
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane @en
cas number: 12707-43-6
cas number: 2385-85-5
cas number: 12557-88-9
cas number: 56449-78-6
cas number: 20594-49-4
cas number: 12766-04-0
notation: mirx
in scheme: Conceptschema Chemische Stoffen
inchikey: GVYLCNUFSHDAAW-UHFFFAOYSA-N
broader: CHEMONTID_0001549
pubchem: 16945
formula: C10Cl12
inchi: InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18

dibutylamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C8H19N
broader: CHEMONTID_0002228
cas number: 111-92-2
cas number: 71230-78-9
inchi: InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3
notation: DC4yAe
smiles: CCCCNCCCC
inchikey: JQVDAXLFBXTEQA-UHFFFAOYSA-N
iupac name: N-butylbutan-1-amine @en
pubchem: 8148

dibutylnitrosamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: YGJHZCLPZAZIHH-UHFFFAOYSA-N
pubchem: 13542
in scheme: Conceptschema Chemische Stoffen
iupac name: N,N-dibutylnitrous amide @en
cas number: 924-16-3
formula: C8H18N2O
inchi: InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3
smiles: CCCCN(CCCC)N=O
broader: CHEMONTID_0004777
notation: DC4yNOAe

dimethylisoftalaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1459-93-4
broader: CHEMONTID_0004010
iupac name: dimethyl benzene-1,3-dicarboxylate @en
inchi: InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
formula: C10H10O4
pubchem: 15088
in scheme: Conceptschema Chemische Stoffen
inchikey: VNGOYPQMJFJDLV-UHFFFAOYSA-N
notation: DC1yiFt
smiles: COC(=O)C1=CC(=CC=C1)C(=O)OC

sulfosulfuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: sulfsfrn
inchi: InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)
in scheme: Conceptschema Chemische Stoffen
formula: C16H18N6O7S2
cas number: 141776-32-1
pubchem: 86426
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-(2-ethylsulfonylimidazo[3,2-a]pyridin-3-yl)sulfonylurea @en
broader: CHEMONTID_0004705
inchikey: RBSXHDIPCIWOMG-UHFFFAOYSA-N

foxim
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002279
inchi: InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+
cas number: 14816-18-3
iupac name: N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide @en
notation: fOxm
inchikey: ATROHALUCMTWTB-WYMLVPIESA-N
pubchem: 9570290
in scheme: Conceptschema Chemische Stoffen
smiles: CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1
formula: C12H15N2O3PS

prednisolon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 50-24-8
cas number: 58201-11-9
cas number: 8056-11-9
formula: C21H28O5
iupac name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one @en
inchikey: OIGNJSKKLXVSLS-VWUMJDOOSA-N
pubchem: 5755
notation: prednsln
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003095
inchi: InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1

Isopropylamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: iC3yAe
smiles: CC(C)N
inchi: InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000469
inchikey: JJWLVOIRVHMVIS-UHFFFAOYSA-N
formula: C3H9N
cas number: 85404-24-6
cas number: 75-31-0
iupac name: propan-2-amine @en
pubchem: 6363

ethyleendiamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C(CN)N
inchikey: PIICEJLVQHRZGT-UHFFFAOYSA-N
cas number: 460-19-5
cas number: 15808-32-9
cas number: 27308-78-7
cas number: 8030-24-8
cas number: 107-15-3
cas number: 68845-05-6
cas number: 85404-18-8
cas number: 211750-61-7
cas number: 2074-87-5
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
formula: C2H8N2
notation: C2yeDAe
iupac name: ['ethane-1,2-diamine', 'ethyne-1,2-diamine', 'Oxalonitrile'] @en
pubchem: 3301

duloxetine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000023
notation: dulxtne
inchikey: ZEUITGRIYCTCEM-KRWDZBQOSA-N
smiles: CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32
formula: C18H19NOS
in scheme: Conceptschema Chemische Stoffen
pubchem: 60835
iupac name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine @en
cas number: 116539-59-4
inchi: InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1

2-ethylidene-1,5-dimethyl-3,3-difenylpyrrolidine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: 2C2yid15DC1y
inchikey: AJRJPORIQGYFMT-PVOVUMCXSA-N
iupac name: (2Z)-2-ethylidene-1,5-dimethyl-3,3-di(phenyl)pyrrolidine @en
formula: C20H23N
cas number: 57195-65-0
cas number: 30223-73-5
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4-
pubchem: 5378015

melem
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001693
iupac name: 11-imino-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,7,9-pentaene-3,7-diamine @en
inchikey: YSRVJVDFHZYRPA-UHFFFAOYSA-N
inchi: InChI=1S/C6H6N10/c7-1-10-4-12-2(8)14-6-15-3(9)13-5(11-1)16(4)6/h(H6,7,8,9,10,11,12,13,14,15)
smiles: C1(=NC2=NC(=N)N=C3N2C(=NC(=N3)N)N1)N
pubchem: 73919
in scheme: Conceptschema Chemische Stoffen
notation: melm
cas number: 1502-47-2
formula: C6H6N10

fenthion-oxon-sulfoxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 6552-13-2
iupac name: dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate @en
smiles: CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)C
pubchem: 23047
inchikey: GTZCKTIZOGTWQO-UHFFFAOYSA-N
inchi: InChI=1S/C10H15O5PS/c1-8-7-9(5-6-10(8)17(4)12)15-16(11,13-2)14-3/h5-7H,1-4H3
broader: CHEMONTID_0004632
in scheme: Conceptschema Chemische Stoffen
notation: fentoOosfOxd
formula: C10H15O5PS

tebuconazol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 86102
alternative label: tebuconazole
inchi: InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
notation: tebcnzl
iupac name: 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol @en
broader: CHEMONTID_0000014
cas number: 80443-41-0
cas number: 107534-96-3
formula: C16H22ClN3O
inchikey: PXMNMQRDXWABCY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

2-(2-methoxyethoxy)ethanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001167
inchi: InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3
formula: C5H12O3
iupac name: 2-(2-Methoxyethoxy)ethanol @en
pubchem: 8134
notation: 22C1oxC2oxC2
inchikey: SBASXUCJHJRPEV-UHFFFAOYSA-N
smiles: COCCOCCO
cas number: 111-77-3

aluminium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 91728-14-2
cas number: 7429-90-5
cas number: 80341-19-1
cas number: 113962-66-6
cas number: 12766-45-9
cas number: 37202-64-5
cas number: 39332-62-2
cas number: 182260-45-3
cas number: 39302-71-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000427
formula: Al
iupac name: ALUMINUM @en
smiles: [Al]
pubchem: 5359268
notation: Al
inchi: InChI=1S/Al
inchikey: XAGFODPZIPBFFR-UHFFFAOYSA-N

zilver 111
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 161148
inchi: InChI=1S/Ag/i1+3
iupac name: silver-111 @en
smiles: [Ag]
notation: Ag111
formula: Ag
cas number: 15760-04-0
broader: CHEMONTID_0000426
inchikey: BQCADISMDOOEFD-AKLPVKDBSA-N
in scheme: Conceptschema Chemische Stoffen

natriumchloraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 24487
notation: NaClO3
cas number: 7775-09-9
cas number: 11096-45-0
cas number: 9011-70-5
cas number: 38869-73-7
cas number: 38869-74-8
formula: ClNaO3
inchi: InChI=1S/ClHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
inchikey: YZHUMGUJCQRKBT-UHFFFAOYSA-M
smiles: [O-]Cl(=O)=O.[Na+]
iupac name: Sodium chlorate @en
broader: CHEMONTID_0000632

nikkelsulfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: [O-]S(=O)(=O)[O-].[Ni+2]
notation: NiSO4
cas number: 139939-67-6
cas number: 7786-81-4
inchi: InChI=1S/Ni.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
broader: CHEMONTID_0000858
pubchem: 24586
iupac name: nickel(+2) cation sulfate @en
inchikey: LGQLOGILCSXPEA-UHFFFAOYSA-L
formula: NiO4S

dinoseb-acetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: (2-butan-2-yl-4,6-dinitrophenyl) acetate @en
in scheme: Conceptschema Chemische Stoffen
smiles: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C
inchikey: RDJTWDKSYLLHRW-UHFFFAOYSA-N
pubchem: 17776
notation: Dnsactt
cas number: 2813-95-8
broader: CHEMONTID_0002319
inchi: InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3
formula: C12H14N2O6

hexyleen glycol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 7870
cas number: 99113-75-4
cas number: 107-41-5
notation: C6yegcl
broader: CHEMONTID_0001670
formula: C6H14O2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
inchikey: SVTBMSDMJJWYQN-UHFFFAOYSA-N
smiles: CC(CC(C)(C)O)O
iupac name: 2-Methylpentane-2,4-diol @en

diflufenican
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 83164-33-4
inchi: InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
iupac name: N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide @en
in scheme: Conceptschema Chemische Stoffen
inchikey: WYEHFWKAOXOVJD-UHFFFAOYSA-N
broader: CHEMONTID_0004712
formula: C19H11F5N2O2
notation: Dffncn
pubchem: 91735

gadopentetinezuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 55466
cas number: 86050-77-3
cas number: 80529-93-7
iupac name: 2-[bis[2-[carboxymethyl-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol @en
broader: CHEMONTID_0002995
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1
smiles: CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3]
formula: C28H54GdN5O20
inchikey: LGMLJQFQKXPRGA-VPVMAENOSA-K
notation: gadpttnzr

2-methyl-5-nitroimidazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 2C1y5NO2imdz
inchikey: FFYTTYVSDVWNMY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
cas number: 88054-22-2
cas number: 696-23-1
cas number: 100215-29-0
formula: C4H5N3O2
iupac name: 2-methyl-4-nitro-3H-imidazole @en
smiles: CC1=NC=C(N1)[N+](=O)[O-]
broader: CHEMONTID_0000242
pubchem: 12760

2,4,6-tris(1-fenylethyl)fenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C30H30O/c1-21(24-13-7-4-8-14-24)27-19-28(22(2)25-15-9-5-10-16-25)30(31)29(20-27)23(3)26-17-11-6-12-18-26/h4-23,31H,1-3H3
notation: 246T1FyC2yFo
formula: C30H30O
pubchem: 86688
broader: CHEMONTID_0002651
in scheme: Conceptschema Chemische Stoffen
inchikey: BYLSIPUARIZAHZ-UHFFFAOYSA-N
iupac name: 2,4,6-Tris(1-phenylethyl)phenol @en
cas number: 18254-13-2

diclazuril
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: diczrl
formula: C17H9Cl3N4O2
pubchem: 456389
inchikey: ZSZFUDFOPOMEET-UHFFFAOYSA-N
iupac name: 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile @en
broader: CHEMONTID_0001527
in scheme: Conceptschema Chemische Stoffen
cas number: 101831-37-2
inchi: InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)

2-chloor-5-methylaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: 2Cl5C1yAn
in scheme: Conceptschema Chemische Stoffen
cas number: 95-81-8
inchi: InChI=1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
pubchem: 66770
formula: C7H8ClN
smiles: CC1=CC(=C(C=C1)Cl)N
inchikey: HPSCXFOQUFPEPE-UHFFFAOYSA-N
broader: CHEMONTID_0003964
iupac name: 2-Chloro-5-methylaniline @en

furmecyclox
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3
iupac name: N-cyclohexyl-N-methoxy-2,5-dimethylfuran-3-carboxamide @en
inchikey: QTDRLOKFLJJHTG-UHFFFAOYSA-N
smiles: CC1=CC(=C(O1)C)C(=O)N(C2CCCCC2)OC
in scheme: Conceptschema Chemische Stoffen
notation: furmccx
broader: CHEMONTID_0004759
cas number: 60568-05-0
formula: C14H21NO3
pubchem: 43359

tecnazeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C6HCl4NO2
iupac name: 1,2,4,5-Tetrachloro-3-nitrobenzene @en
alternative label: 2,3,5,6-tetrachloornitrobenzeen
inchikey: XQTLDIFVVHJORV-UHFFFAOYSA-N
cas number: 28804-67-3
cas number: 117-18-0
broader: CHEMONTID_0000036
inchi: InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H
smiles: C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl
pubchem: 8330
in scheme: Conceptschema Chemische Stoffen
notation: tecnzn

2,2',3,3',5,5',6-heptachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 40474
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-4-1-5(10(17)6(14)2-4)9-11(18)7(15)3-8(16)12(9)19/h1-3H
inchikey: WCIBKXHMIXUQHK-UHFFFAOYSA-N
cas number: 52663-67-9
iupac name: 1,2,4,5-tetrachloro-3-(2,3,5-trichlorophenyl)benzene @en
broader: CHEMONTID_0003030
notation: PCB178

1-broom-3-chloor-5,5-dimethylhidantoïne
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CC1(C(=O)N(C(=O)N1Br)Cl)C
pubchem: 61828
notation: BCDMH
broader: CHEMONTID_0002273
iupac name: 1-BROMO-3-CHLORO-5,5-DIMETHYLIMIDAZOLIDINE-2,4-DIONE @en
cas number: 16079-88-2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3
formula: C5H6BrClN2O2
inchikey: PIEXCQIOSMOEOU-UHFFFAOYSA-N

nicosulfuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: nicsfrn
pubchem: 73281
iupac name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide @en
inchi: InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)
cas number: 111991-09-4
in scheme: Conceptschema Chemische Stoffen
formula: C15H18N6O6S
broader: CHEMONTID_0001861
inchikey: RTCOGUMHFFWOJV-UHFFFAOYSA-N

2,3-dioctylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCC
iupac name: 2,3-dioctylphenol @en
pubchem: 121608
broader: CHEMONTID_0004647
inchi: InChI=1S/C22H38O/c1-3-5-7-9-11-13-16-20-17-15-19-22(23)21(20)18-14-12-10-8-6-4-2/h15,17,19,23H,3-14,16,18H2,1-2H3
formula: C22H38O
cas number: 29988-16-7
inchikey: IXKVYSRDIVLASR-UHFFFAOYSA-N
notation: 23DC8yFol
in scheme: Conceptschema Chemische Stoffen

dichlofluanide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1085-98-9
cas number: 90416-56-1
cas number: 12698-56-5
cas number: 56590-61-5
cas number: 79235-99-7
pubchem: 14145
inchikey: WURGXGVFSMYFCG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C9H11Cl2FN2O2S2
smiles: CN(C)S(=O)(=O)N(C1=CC=CC=C1)SC(F)(Cl)Cl
broader: CHEMONTID_0000038
notation: Dcfande
iupac name: N-(dichloro-fluoromethyl)sulfanyl-N-(dimethylsulfamoyl)aniline @en

cinchofen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C16H11NO2
iupac name: 2-Phenylquinoline-4-carboxylic acid @en
cas number: 132-60-5
broader: CHEMONTID_0002348
in scheme: Conceptschema Chemische Stoffen
pubchem: 8593
inchi: InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)
notation: cincfn
inchikey: YTRMTPPVNRALON-UHFFFAOYSA-N

2,3,4',6-tetrachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C1=CC(=CC=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
inchikey: FXRXQYZZALWWGA-UHFFFAOYSA-N
cas number: 52663-58-8
pubchem: 63110
iupac name: 1,2,4-trichloro-3-(4-chlorophenyl)benzene @en
notation: PCB64
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)11-9(14)5-6-10(15)12(11)16/h1-6H

PCB 105
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: 1,2,3-trichloro-4-(3,4-dichlorophenyl)benzene @en
cas number: 32598-14-4
comment: VLAR III (D3) 'dioxineachtige PCB's'
inchi: InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H
broader: CHEMONTID_0003030
alternative label: 2,3,3',4,4'-pentachloorbifenyl (pcb105)
alternative label: 2,3,3',4,4'-pentachloorbifenyl
alternative label: pcb 105
is referenced by: LUC VI 002
formula: C12H5Cl5
pubchem: 36188
in scheme: Conceptschema Chemische Stoffen
notation: PCB105
inchikey: WIDHRBRBACOVOY-UHFFFAOYSA-N

dioctyltin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
alternative label: dioctyltin (kation)
pubchem: 27681
broader: CHEMONTID_0001524
inchikey: HGQSXVKHVMGQRG-UHFFFAOYSA-N
cas number: 15231-44-4
cas number: 94410-05-6
formula: C16H34Sn
notation: DC8ySn
iupac name: dioctyltin @en
inchi: InChI=1S/2C8H17.Sn/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;
smiles: CCCCCCCC[Sn]CCCCCCCC
in scheme: Conceptschema Chemische Stoffen

octadecyl 3-(3,5-di-tert-butyl-4-hydroxyfenyl)propanoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: SSDSCDGVMJFTEQ-UHFFFAOYSA-N
cas number: 109265-64-7
cas number: 156511-59-0
cas number: 69093-37-4
cas number: 80693-11-4
cas number: 2082-79-3
cas number: 119764-08-8
notation: C18y335DttC4
formula: C35H62O3
iupac name: octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 16386
broader: CHEMONTID_0001722

c.i. direct blue 14
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000041
cas number: 72-57-1
cas number: 179472-55-0
pubchem: 9562061
notation: cidbe14
formula: C34H24N6Na4O14S4
in scheme: Conceptschema Chemische Stoffen
alternative label: C.I. Direct Blue 14
inchikey: WMYVHJWZUUEZNE-ARWFNKCKSA-J
iupac name: tetrasodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate @en

chloornitrobenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 6945
inchikey: BFCFYVKQTRLZHA-UHFFFAOYSA-N
cas number: 25167-93-5
cas number: 88-73-3
alternative label: 1-chloor-2-nitrobenzeen
smiles: C1=CC=C(C(=C1)[N+](=O)[O-])Cl
iupac name: 1-Chloro-2-nitrobenzene @en
formula: C6H4ClNO2
notation: ClNO2Ben
notation: 1Cl2NO2Ben
inchi: InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen

trifluormethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0004160
pubchem: 6373
formula: CHF3
smiles: C(F)(F)F
in scheme: Conceptschema Chemische Stoffen
cas number: 185009-29-4
cas number: 75-46-7
inchi: InChI=1S/CHF3/c2-1(3)4/h1H
inchikey: XPDWGBQVDMORPB-UHFFFAOYSA-N
notation: HFK23
iupac name: Fluoroform @en

2,2',4,4',5-pentachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 38013
notation: PCB99
iupac name: 1,2,4-trichloro-5-(2,4-dichlorophenyl)benzene @en
inchikey: LMQJBFRGXHMNOX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 38380-01-7
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-6-1-2-7(9(14)3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
broader: CHEMONTID_0003030

bendiocarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: benDocb
iupac name: (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate @en
smiles: CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C
formula: C11H13NO4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000296
inchikey: XEGGRYVFLWGFHI-UHFFFAOYSA-N
pubchem: 2314
cas number: 22781-23-3
inchi: InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)

3-broomanisol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2398-37-0
formula: C7H7BrO
in scheme: Conceptschema Chemische Stoffen
smiles: COC1=CC(=CC=C1)Br
broader: CHEMONTID_0000138
pubchem: 16971
iupac name: 1-Bromo-3-methoxybenzene @en
inchi: InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
notation: 3Bransl
inchikey: PLDWAJLZAAHOGG-UHFFFAOYSA-N

2-chloor-4-nitrotolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
broader: CHEMONTID_0000036
notation: 2Cl4NO2Tol
cas number: 121-86-8
inchikey: LLYXJBROWQDVMI-UHFFFAOYSA-N
formula: C7H6ClNO2
iupac name: 2-Chloro-1-methyl-4-nitrobenzene @en
pubchem: 8491
inchi: InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3

gibberelline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 165669
cas number: 8030-53-3
broader: CHEMONTID_0004013
iupac name: (1R,2R,5S,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid;(1R,2R,5S,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid @en
notation: gebbrlne
formula: C38H46O10
inchikey: VLCYCUFDXXZIOY-ZFGAUFRASA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C19H24O5.C19H22O5/c2*1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22);5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t2*10-,11+,12-,13+,14+,17+,18-,19+/m00/s1

aminocarb
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C11H16N2O2
inchikey: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
iupac name: (4-dimethylamino-3-methylphenyl) N-methylcarbamate @en
cas number: 2032-59-9
pubchem: 16247
broader: CHEMONTID_0004742
inchi: InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C=CC(=C1)OC(=O)NC)N(C)C
notation: Aocb

2,5-dinitrofenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H
iupac name: ['5-(dihydroxyamino)-2-nitrophenol', '2-(dihydroxyamino)-5-nitrophenol', '2,5-DINITROPHENOL'] @en
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]
broader: CHEMONTID_0004505
notation: 25DNO2Fol
pubchem: 9492
cas number: 329-71-5
inchikey: UWEZBKLLMKVIPI-UHFFFAOYSA-N
formula: C6H4N2O5

2-amino-5-methylbenzeensulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 6934
in scheme: Conceptschema Chemische Stoffen
cas number: 88-44-8
broader: CHEMONTID_0000032
notation: 2Ao5C1yBensf
smiles: CC1=CC(=C(C=C1)N)S(=O)(=O)O
iupac name: 2-Amino-5-methylbenzenesulfonic acid @en
inchikey: LTPSRQRIPCVMKQ-UHFFFAOYSA-N
inchi: InChI=1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
formula: C7H9NO3S

isobutylacrylaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 7819
formula: C7H12O2
inchikey: CFVWNXQPGQOHRJ-UHFFFAOYSA-N
broader: CHEMONTID_0004452
smiles: CC(C)COC(=O)C=C
inchi: InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3
notation: iC4yaclt
in scheme: Conceptschema Chemische Stoffen
cas number: 106-63-8
iupac name: 2-methylpropyl prop-2-enoate @en

propargiet
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: ZYHMJXZULPZUED-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
pubchem: 4936
cas number: 60098-53-5
cas number: 2312-35-8
iupac name: [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite @en
smiles: CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C
notation: propgt
inchi: InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3
formula: C19H26O4S

2-methyl-1-propaanthiol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 513-44-0
broader: CHEMONTID_0001212
inchi: InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
inchikey: BDFAOUQQXJIZDG-UHFFFAOYSA-N
notation: 2C1y1C3atol
pubchem: 10558
in scheme: Conceptschema Chemische Stoffen
formula: C4H10S
iupac name: 2-Methylpropane-1-thiol @en
smiles: CC(C)CS

2,5-dimethylpyrazine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C6H8N2
cas number: 123-32-0
inchikey: LCZUOKDVTBMCMX-UHFFFAOYSA-N
notation: 25DC1yprzne
inchi: InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
pubchem: 31252
iupac name: 2,5-Dimethylpyrazine @en
broader: CHEMONTID_0000067
smiles: CC1=CN=C(C=N1)C
in scheme: Conceptschema Chemische Stoffen

butanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
broader: CHEMONTID_0000286
is referenced by: LUC IV 012
is referenced by: LUC IV 000
is referenced by: LUC IV 009
cas number: 42031-19-6
cas number: 71-36-3
cas number: 220713-25-7
cas number: 14254-05-8
cas number: 107569-51-7
cas number: 35296-72-1
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
smiles: CCCCO
formula: C4H10O
inchikey: LRHPLDYGYMQRHN-UHFFFAOYSA-N
notation: C4ol
alternative label: n-butanol
iupac name: Butan-1-ol @en
pubchem: 263

2-methylheptadecaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCCCCCCCCCCCCCCC(C)C
formula: C18H38
inchikey: RJWUMFHQJJBBOD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yC17a
broader: CHEMONTID_0004620
cas number: 1560-89-0
iupac name: 2-METHYLHEPTADECANE @en
pubchem: 15265
inchi: InChI=1S/C18H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3

dipropetryn
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)
cas number: 4147-51-7
formula: C11H21N5S
smiles: CCSC1=NC(=NC(=N1)NC(C)C)NC(C)C
broader: CHEMONTID_0004637
in scheme: Conceptschema Chemische Stoffen
inchikey: NPWMZOGDXOFZIN-UHFFFAOYSA-N
notation: Dprtn
pubchem: 20105
iupac name: 6-ethylsulfanyl-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine @en

thallium 202
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: BKVIYDNLLOSFOA-YPZZEJLDSA-N
iupac name: thallium-202 @en
in scheme: Conceptschema Chemische Stoffen
smiles: [Tl]
inchi: InChI=1S/Tl/i1-2
cas number: 15720-57-7
formula: Tl
notation: Tl202
pubchem: 6337071
broader: CHEMONTID_0000427

profluraline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: profrlne
in scheme: Conceptschema Chemische Stoffen
cas number: 26399-36-0
cas number: 52002-14-9
cas number: 12676-46-9
cas number: 11096-25-6
inchikey: ITVQAKZNYJEWKS-UHFFFAOYSA-N
iupac name: N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline @en
inchi: InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3
broader: CHEMONTID_0003968
smiles: CCCN(CC1CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
pubchem: 33500
formula: C14H16F3N3O4

diquat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: Dqt
in scheme: Conceptschema Chemische Stoffen
cas number: 2764-72-9
inchi: InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2
formula: C12H12N2+2
iupac name: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene @en
smiles: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31
pubchem: 6795
inchikey: SYJFEGQWDCRVNX-UHFFFAOYSA-N
broader: CHEMONTID_0001764

dibroomazijnzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: DBrHAc
pubchem: 12433
iupac name: 2,2-dibromoacetic acid @en
cas number: 631-64-1
inchi: InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)
in scheme: Conceptschema Chemische Stoffen
inchikey: SIEILFNCEFEENQ-UHFFFAOYSA-N
broader: CHEMONTID_0003000
smiles: C(C(=O)O)(Br)Br
formula: C2H2Br2O2

bezafibraat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 41859-67-0
broader: CHEMONTID_0000417
inchi: InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
iupac name: 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid @en
formula: C19H20ClNO4
notation: bezafbt
pubchem: 39042
in scheme: Conceptschema Chemische Stoffen
inchikey: IIBYAHWJQTYFKB-UHFFFAOYSA-N

4,4'-thiobisbenzeenamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 139-65-1
formula: C12H12N2S
inchikey: ICNFHJVPAJKPHW-UHFFFAOYSA-N
notation: 44thiobBenAe
broader: CHEMONTID_0003864
pubchem: 8765
iupac name: 4-(4-aminophenyl)sulfanylaniline @en
inchi: InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=CC=C1N)SC2=CC=C(C=C2)N

toxafeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 1,2,3,4,7,7-hexachloro-6,6-bis(chloromethyl)-5-methylidenebicyclo[2.2.1]heptane @en
inchi: InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2
in scheme: Conceptschema Chemische Stoffen
cas number: 8001-35-2
broader: CHEMONTID_0001564
pubchem: 5284469
notation: toxafn
inchikey: OEJNXTAZZBRGDN-UHFFFAOYSA-N
formula: C10H8Cl8

isobutylparabeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
iupac name: 2-Methylpropyl 4-hydroxybenzoate @en
notation: iC4yprbn
broader: CHEMONTID_0004702
in scheme: Conceptschema Chemische Stoffen
formula: C11H14O3
cas number: 4247-02-3
smiles: CC(C)COC(=O)C1=CC=C(C=C1)O
pubchem: 20240
inchikey: XPJVKCRENWUEJH-UHFFFAOYSA-N

C.I. Solvent Yellow 14
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000023
notation: cisyw14
pubchem: 5858445
inchi: InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,17H/b18-16-
smiles: C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32
iupac name: ['1-(phenylhydrazinylidene)naphthalen-2-one', '(1Z)-1-(phenylhydrazinylidene)naphthalen-2-one'] @en
cas number: 104407-03-6
cas number: 842-07-9
inchikey: ZONYAPYTDIVJGG-VLGSPTGOSA-N
in scheme: Conceptschema Chemische Stoffen
alternative label: c.i. solvent yellow 14
formula: C16H12N2O

methylpirimifos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 34526
alternative label: pirimiphos-methyl
alternative label: pirimifos-methyl
notation: C1yprmfs
formula: C11H20N3O3PS
in scheme: Conceptschema Chemische Stoffen
cas number: 29232-93-7
inchi: InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3
inchikey: QHOQHJPRIBSPCY-UHFFFAOYSA-N
smiles: CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C
broader: CHEMONTID_0004771
iupac name: 4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine @en

2-ethoxybutaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001167
formula: C6H14O
iupac name: 2-ETHOXYBUTANE @en
notation: 2C2oxC4a
smiles: CCC(C)OCC
inchikey: VSCUCHUDCLERMY-UHFFFAOYSA-N
inchi: InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3
cas number: 2679-87-0
cas number: 19316-73-5
in scheme: Conceptschema Chemische Stoffen
pubchem: 17586

4-tert-butylpyrocatechol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 7381
notation: 4ttC4yprctcl
inchi: InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
smiles: CC(C)(C)C1=CC(=C(C=C1)O)O
cas number: 98-29-3
inchikey: XESZUVZBAMCAEJ-UHFFFAOYSA-N
formula: C10H14O2
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-tert-butylbenzene-1,2-diol @en

2,4-dimethylhexaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004620
iupac name: 2,4-Dimethylhexane @en
smiles: CCC(C)CC(C)C
notation: 24DC1yC6a
inchikey: HDGQICNBXPAKLR-UHFFFAOYSA-N
cas number: 90622-56-3
cas number: 589-43-5
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3
pubchem: 11511
formula: C8H18

broomtrichloormethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: BrTClC1a
formula: CBrCl3
iupac name: bromo-trichloromethane @en
smiles: C(Cl)(Cl)(Cl)Br
inchikey: XNNQFQFUQLJSQT-UHFFFAOYSA-N
broader: CHEMONTID_0004157
cas number: 75-62-7
in scheme: Conceptschema Chemische Stoffen
pubchem: 6383
inchi: InChI=1S/CBrCl3/c2-1(3,4)5

dihydromyrcenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 18479-58-8
cas number: 25279-08-7
broader: CHEMONTID_0001670
in scheme: Conceptschema Chemische Stoffen
notation: DHmcnl
iupac name: 2,6-Dimethyloct-7-en-2-ol @en
inchikey: XSNQECSCDATQEL-UHFFFAOYSA-N
smiles: CC(CCCC(C)(C)O)C=C
inchi: InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3
pubchem: 29096
formula: C10H20O

triasulfuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C14H16ClN5O5S
pubchem: 73282
in scheme: Conceptschema Chemische Stoffen
cas number: 135100-29-7
cas number: 82097-50-5
iupac name: 1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea @en
notation: Tasfrn
inchikey: XOPFESVZMSQIKC-UHFFFAOYSA-N
broader: CHEMONTID_0000031

4-methylindol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 85282
cas number: 16096-32-5
formula: C9H9N
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C2C=CNC2=CC=C1
inchikey: PZOUSPYUWWUPPK-UHFFFAOYSA-N
iupac name: 4-methyl-1H-indole @en
inchi: InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3
broader: CHEMONTID_0002497
notation: 4C1yidl

aramit
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl
broader: CHEMONTID_0002811
inchi: InChI=1S/C15H23ClO4S/c1-12(20-21(17)19-10-9-16)11-18-14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11H2,1-4H3
cas number: 140-57-8
notation: armt
inchikey: YKFRAOGHWKADFJ-UHFFFAOYSA-N
iupac name: 1-(4-tert-butylphenoxy)propan-2-yl 2-chloroethyl sulfite @en
pubchem: 8809
in scheme: Conceptschema Chemische Stoffen
formula: C15H23ClO4S

protactinium 231
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 14331-85-2
pubchem: 105147
notation: Pa231
iupac name: protactinium-231 @en
inchikey: XLROVYAPLOFLNU-IGMARMGPSA-N
inchi: InChI=1S/Pa/i1+0
smiles: [Pa]
formula: Pa
broader: CHEMONTID_0000430

3-heptanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: Heptan-3-one @en
inchikey: NGAZZOYFWWSOGK-UHFFFAOYSA-N
smiles: CCCCC(=O)CC
pubchem: 7802
cas number: 106-35-4
in scheme: Conceptschema Chemische Stoffen
formula: C7H14O
notation: 3C7on
broader: CHEMONTID_0000118
inchi: InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3

tetraethyleenpentamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 8197
cas number: 112-57-2
cas number: 115254-44-9
notation: T4C2yePeAe
iupac name: N'-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine @en
in scheme: Conceptschema Chemische Stoffen
formula: C8H23N5
smiles: C(CNCCNCCNCCN)N
inchi: InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
inchikey: FAGUFWYHJQFNRV-UHFFFAOYSA-N
broader: CHEMONTID_0002228

sulfurylfluoride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 17607
inchi: InChI=1S/F2O2S/c1-5(2,3)4
in scheme: Conceptschema Chemische Stoffen
inchikey: OBTWBSRJZRCYQV-UHFFFAOYSA-N
cas number: 2699-79-8
broader: CHEMONTID_0000550
iupac name: Sulfuryl difluoride @en
smiles: O=S(=O)(F)F
notation: sulfrF
formula: F2O2S

sec-butylacetaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: secC4yactt
formula: C6H12O2
inchikey: DCKVNWZUADLDEH-UHFFFAOYSA-N
cas number: 116698-48-7
cas number: 105-46-4
broader: CHEMONTID_0001238
iupac name: butan-2-yl acetate @en
inchi: InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
smiles: CCC(C)OC(=O)C
in scheme: Conceptschema Chemische Stoffen
pubchem: 7758

theophylline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000247
smiles: CN1C2=C(C(=O)N(C1=O)C)NC=N2
cas number: 75448-53-2
cas number: 56645-32-0
cas number: 46157-00-0
cas number: 58-55-9
formula: C7H8N4O2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
notation: theoplne
pubchem: 2153
inchikey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
iupac name: 1,3-dimethyl-7H-purine-2,6-dione @en

pyraclofos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0002019
notation: pyrcfs
in scheme: Conceptschema Chemische Stoffen
cas number: 77458-01-6
cas number: 89784-60-1
iupac name: 1-(4-chlorophenyl)-4-(ethoxy-propylsulfanylphosphoryl)oxypyrazole @en
formula: C14H18ClN2O3PS
pubchem: 93460
inchikey: QHGVXILFMXYDRS-UHFFFAOYSA-N

3,4-dimethylpyridine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 11417
in scheme: Conceptschema Chemische Stoffen
notation: 34DC1yprdne
inchikey: NURQLCJSMXZBPC-UHFFFAOYSA-N
broader: CHEMONTID_0004152
iupac name: 3,4-Dimethylpyridine @en
cas number: 583-58-4
formula: C7H9N
smiles: CC1=C(C=NC=C1)C
inchi: InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3

N-ethyl-4-methylbenzeensulfonamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CCNS(=O)(=O)C1=CC=C(C=C1)C
cas number: 825629-31-0
cas number: 8047-99-2
cas number: 80-39-7
in scheme: Conceptschema Chemische Stoffen
alternative label: n-ethyl-4-methylbenzeensulfonamide
pubchem: 6637
inchi: InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
iupac name: N-Ethyl-4-methylbenzenesulfonamide @en
inchikey: OHPZPBNDOVQJMH-UHFFFAOYSA-N
formula: C9H13NO2S
notation: NC2y4C1yBens
broader: CHEMONTID_0004517

einsteinium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: CKBRQZNRCSJHFT-UHFFFAOYSA-N
iupac name: EINSTEINIUM @en
notation: Es
cas number: 7429-92-7
inchi: InChI=1S/Es
pubchem: 23913
formula: Es
broader: CHEMONTID_0000430
smiles: [Es]
in scheme: Conceptschema Chemische Stoffen

ruthenium 106
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 13967-48-1
notation: Ru106
inchikey: KJTLSVCANCCWHF-BKFZFHPZSA-N
formula: Ru
smiles: [Ru]
broader: CHEMONTID_0000426
iupac name: ruthenium-106 @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Ru/i1+5
pubchem: 26359

1,3-dichloorpropaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: 13DClC3a
pubchem: 8881
inchikey: YHRUOJUYPBUZOS-UHFFFAOYSA-N
inchi: InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
cas number: 142-28-9
smiles: C(CCl)CCl
iupac name: 1,3-Dichloropropane @en
formula: C3H6Cl2
broader: CHEMONTID_0001516

crufomaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: crfmt
inchikey: BOFHKBLZOYVHSI-UHFFFAOYSA-N
inchi: InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)
iupac name: N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine @en
smiles: CC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl
cas number: 299-86-5
formula: C12H19ClNO3P
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002811
pubchem: 9300

methyl-metsulfuron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: RSMUVYRMZCOLBH-UHFFFAOYSA-N
cas number: 74223-64-6
cas number: 82197-07-7
in scheme: Conceptschema Chemische Stoffen
formula: C14H15N5O6S
notation: C1ymsfrn
broader: CHEMONTID_0001350
pubchem: 52999
inchi: InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
iupac name: methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate @en

tetraethyleenglycoldimethylether
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: COCCOCCOCCOCCOC
inchikey: ZUHZGEOKBKGPSW-UHFFFAOYSA-N
cas number: 70992-84-6
cas number: 143-24-8
pubchem: 8925
notation: TEGDME
inchi: InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3
formula: C10H22O5
iupac name: 1-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethane @en
broader: CHEMONTID_0001167

ethylkwikbromide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C2H5BrHg
broader: CHEMONTID_0004442
smiles: CC[Hg]Br
pubchem: 66943
in scheme: Conceptschema Chemische Stoffen
cas number: 107-26-6
notation: C2yHgBr
inchikey: UREACWLAXSOUKG-UHFFFAOYSA-M
iupac name: bromo-ethylmercury @en
inchi: InChI=1S/C2H5.BrH.Hg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1

metoprololtartraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O
inchikey: YGULWPYYGQCFMP-CEAXSRTFSA-N
cas number: 71307-49-8
cas number: 55250-54-9
cas number: 60168-92-5
cas number: 74220-04-5
cas number: 56392-17-7
in scheme: Conceptschema Chemische Stoffen
iupac name: (2R,3R)-2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
broader: CHEMONTID_0000139
inchi: InChI=1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
pubchem: 441308
formula: C34H56N2O12

bismuth 210
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 6328547
smiles: [Bi]
inchikey: JCXGWMGPZLAOME-OUBTZVSYSA-N
inchi: InChI=1S/Bi/i1+1
formula: Bi
iupac name: bismuth-210 @en
broader: CHEMONTID_0000427
cas number: 14331-79-4
notation: Bi210
in scheme: Conceptschema Chemische Stoffen

2-methylpyridine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3
iupac name: 2-Methylpyridine @en
cas number: 82005-07-0
cas number: 109-06-8
cas number: 45505-34-8
cas number: 52962-96-6
formula: C6H7N
broader: CHEMONTID_0004152
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC=CC=N1
pubchem: 7975
inchikey: BSKHPKMHTQYZBB-UHFFFAOYSA-N
notation: 2C1yprdne

carbofuran-fenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC1(CC2=C(O1)C(=CC=C2)O)C
iupac name: 2,2-dimethyl-3H-1-benzofuran-7-ol @en
inchi: InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004189
notation: carbfrFol
formula: C10H12O2
inchikey: WJGPNUBJBMCRQH-UHFFFAOYSA-N
pubchem: 15278
cas number: 1563-38-8

10,11-cisdiol carbamazepine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C15H14N2O3
in scheme: Conceptschema Chemische Stoffen
inchikey: PRGQOPPDPVELEG-UHFFFAOYSA-N
pubchem: 83852
iupac name: 5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide @en
notation: 1011cDolcarb
cas number: 35079-97-1
inchi: InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)
broader: CHEMONTID_0000320

versalide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone @en
cas number: 1401-76-9
cas number: 88-29-9
smiles: CCC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C
formula: C18H26O
pubchem: 6930
broader: CHEMONTID_0000048
inchikey: KSEZPRJUTHMFGZ-UHFFFAOYSA-N
notation: verslde
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C18H26O/c1-7-13-10-15-16(11-14(13)12(2)19)18(5,6)9-8-17(15,3)4/h10-11H,7-9H2,1-6H3

tetramethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C(=C(C=C1)C)C)C
inchi: InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3
iupac name: 1,2,3,4-TETRAMETHYLBENZENE @en
inchikey: UOHMMEJUHBCKEE-UHFFFAOYSA-N
cas number: 488-23-3
cas number: 25619-60-7
notation: 1234T4C1yBen
notation: T4C1yBen
alternative label: 1,2,3,4-tetramethylbenzeen
broader: CHEMONTID_0002279
pubchem: 10263
formula: C10H14

norcodeine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10?,11-,12?,16?,17+/m1/s1
formula: C17H19NO3
notation: norcdine
inchikey: HKOIXWVRNLGFOR-YANNOFPNSA-N
iupac name: (4R,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol @en
pubchem: 5359402
cas number: 467-15-2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000058

imazamethabenz-methyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)
in scheme: Conceptschema Chemische Stoffen
inchikey: FFCCBBNQPIMUJI-UHFFFAOYSA-N
notation: imzmtbzC1y
cas number: 81405-85-8
cas number: 153703-73-2
cas number: 69969-22-8
pubchem: 54744
broader: CHEMONTID_0001350
formula: C16H20N2O3
iupac name: methyl 4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate @en

desmedifam
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate @en
pubchem: 24743
formula: C16H16N2O4
notation: desmdfm
inchikey: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
cas number: 13684-56-5
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004714
inchi: InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)

alfa+beta endosulfan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 115-29-7
cas number: 8003-45-0
cas number: 6994-04-3
broader: CHEMONTID_0002074
alternative label: ?-endosulfan
alternative label: endosulfan (som alfa- en beta-isomeer)
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
pubchem: 3224
inchikey: RDYMFSUJUZBWLH-UHFFFAOYSA-N
formula: C9H6Cl6O3S
notation: endsfn
iupac name: 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide @en

1,4-dichloorbutaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 51104-87-1
cas number: 110-56-5
smiles: C(CCCl)CCl
formula: C4H8Cl2
inchikey: KJDRSWPQXHESDQ-UHFFFAOYSA-N
inchi: InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2
in scheme: Conceptschema Chemische Stoffen
notation: 14DClC4a
iupac name: ['1,4-dichlorobuta-1,3-diyne', '1,4-Dichlorobutane'] @en
broader: CHEMONTID_0001516
pubchem: 8059

3,7-dimethyl-1,7-octaandiol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C10H22O2
notation: 37DC1y17C8aD
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,7-Dimethyloctane-1,7-diol @en
cas number: 107-74-4
inchi: InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3
pubchem: 249494
smiles: CC(CCCC(C)(C)O)CCO
inchikey: FPCCDPXRNNVUOM-UHFFFAOYSA-N

roxitromycine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C41H76N2O15
broader: CHEMONTID_0000282
pubchem: 9567573
inchi: InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23?,24+,25+,26-,27?,28?,29-,30?,32?,33+,34-,35?,36-,38?,39-,40?,41-/m1/s1
inchikey: RXZBMPWDPOLZGW-KMAKEOJNSA-N
cas number: 80214-83-1
iupac name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-(4-dimethylamino-3-hydroxy-6-methyloxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one @en
notation: roxtmcne

tribenuronmethyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: TbnrC1y
iupac name: methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 101200-48-0
formula: C15H17N5O6S
inchi: InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
pubchem: 153909
broader: CHEMONTID_0004706
inchikey: VLCQZHSMCYCDJL-UHFFFAOYSA-N

monooctyltin (kation)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 94410-07-8
notation: MC8ySn
broader: CHEMONTID_0001523
iupac name: octyltin @en
formula: C8H17Sn+3
inchikey: GYKSIQWGEZQNEA-UHFFFAOYSA-N
inchi: InChI=1S/C8H17.Sn/c1-3-5-7-8-6-4-2;/h1,3-8H2,2H3;/q;+3
pubchem: 185342
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCC[Sn+3]

C.I. Basic Green 4
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 55172-50-4
cas number: 569-64-2
cas number: 10309-95-2
alternative label: c.i. basic green 4
pubchem: 11294
broader: CHEMONTID_0000369
inchi: InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1
inchikey: FDZZZRQASAIRJF-UHFFFAOYSA-M
formula: C23H25ClN2
smiles: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-]
iupac name: [4-[(4-dimethylaminophenyl)-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylazanium chloride @en
in scheme: Conceptschema Chemische Stoffen
notation: cibgn4

methylamine hydrochloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: C1yAeHCl
iupac name: methylazanium chloride @en
cas number: 135862-86-1
cas number: 593-51-1
cas number: 865-30-5
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000469
formula: CH6ClN
pubchem: 11637
smiles: C[NH3+].[Cl-]
inchi: InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H
inchikey: NQMRYBIKMRVZLB-UHFFFAOYSA-N

1,1-dimethylhydrazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 1,1-Dimethylhydrazine @en
formula: C2H8N2
broader: CHEMONTID_0004511
notation: 11DC1yhdzne
smiles: CN(C)N
cas number: 88733-28-2
cas number: 57-14-7
in scheme: Conceptschema Chemische Stoffen
inchikey: RHUYHJGZWVXEHW-UHFFFAOYSA-N
inchi: InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3
pubchem: 5976

2-chloor-1,1,1-trifluorethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: HCFK133a
iupac name: 2-Chloro-1,1,1-trifluoroethane @en
in scheme: Conceptschema Chemische Stoffen
smiles: C(C(F)(F)F)Cl
broader: CHEMONTID_0001517
cas number: 75-88-7
inchikey: CYXIKYKBLDZZNW-UHFFFAOYSA-N
formula: C2H2ClF3
inchi: InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2
pubchem: 6408

4-broomaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 7807
inchikey: WDFQBORIUYODSI-UHFFFAOYSA-N
broader: CHEMONTID_0000284
notation: 4BrAn
cas number: 106-40-1
cas number: 55777-84-9
iupac name: 4-Bromoaniline @en
inchi: InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
smiles: C1=CC(=CC=C1N)Br
formula: C6H6BrN

dipropyl-isocinchomeronaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 136-45-8
cas number: 114308-72-4
notation: DC3yiccmrnt
in scheme: Conceptschema Chemische Stoffen
formula: C13H17NO4
iupac name: DIPROPYL PYRIDINE-2,5-DICARBOXYLATE @en
inchi: InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
inchikey: IITCWRFYJWUUPC-UHFFFAOYSA-N
broader: CHEMONTID_0002414
smiles: CCCOC(=O)C1=CN=C(C=C1)C(=O)OCCC
pubchem: 8693

2,5-dichloornitrobenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C6H3Cl2NO2
iupac name: 1,4-Dichloro-2-nitrobenzene @en
inchi: InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
inchikey: RZKKOBGFCAHLCZ-UHFFFAOYSA-N
notation: 25DClNO2Ben
smiles: C1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl
in scheme: Conceptschema Chemische Stoffen
cas number: 89-61-2
pubchem: 6977
broader: CHEMONTID_0000036

3-ketocarbofuraan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) N-methylcarbamate @en
inchikey: WXNZYYXXILQTKX-UHFFFAOYSA-N
pubchem: 27999
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000301
inchi: InChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)
cas number: 16709-30-1
smiles: CC1(C(=O)C2=C(O1)C(=CC=C2)OC(=O)NC)C
formula: C12H13NO4
notation: 3ketcbfrn

2-broom-1,4-dimethylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 553-94-6
iupac name: 2-Bromo-1,4-dimethylbenzene @en
inchi: InChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
pubchem: 11121
broader: CHEMONTID_0004211
notation: 2Br14DC1yBen
smiles: CC1=CC(=C(C=C1)C)Br
in scheme: Conceptschema Chemische Stoffen
inchikey: QXISTPDUYKNPLU-UHFFFAOYSA-N
formula: C8H9Br

trimethylammoniumchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H
cas number: 593-81-7
formula: C3H10ClN
pubchem: 11649
inchikey: SZYJELPVAFJOGJ-UHFFFAOYSA-N
notation: TC1yNH4Cl
in scheme: Conceptschema Chemische Stoffen
iupac name: N,N-dimethylmethanamine hydrochloride @en
smiles: C[NH+](C)C.[Cl-]
broader: CHEMONTID_0002239

esprocarb
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: espcb
broader: CHEMONTID_0002279
iupac name: S-(phenylmethyl) (ethyl-(3-methylbutan-2-yl)amino)methanethioate @en
pubchem: 91740
inchikey: BXEHUCNTIZGSOJ-UHFFFAOYSA-N
smiles: CCN(C(C)C(C)C)C(=O)SCC1=CC=CC=C1
inchi: InChI=1S/C15H23NOS/c1-5-16(13(4)12(2)3)15(17)18-11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3
cas number: 85785-20-2
formula: C15H23NOS
in scheme: Conceptschema Chemische Stoffen

bifenox
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 42576-02-3
broader: CHEMONTID_0004155
iupac name: Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate @en
notation: bfnx
inchi: InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3
formula: C14H9Cl2NO5
in scheme: Conceptschema Chemische Stoffen
inchikey: SUSRORUBZHMPCO-UHFFFAOYSA-N
pubchem: 39230

fenamifos-sulfon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15)
pubchem: 36028
iupac name: N-[ethoxy-(3-methyl-4-methylsulfonylphenoxy)phosphoryl]propan-2-amine @en
notation: fenamfsfn
formula: C13H22NO5PS
cas number: 31972-44-8
inchikey: LVNYJXIBJFXIRZ-UHFFFAOYSA-N

calcium, tweewaardig
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: [Ca+2]
cas number: 17787-72-3
cas number: 14127-61-8
formula: Ca+2
inchikey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
pubchem: 271
broader: CHEMONTID_0000428
iupac name: calcium(+2) cation @en
inchi: InChI=1S/Ca/q+2

triflusulfuron-methyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: methyl 2-[[4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate @en
pubchem: 92434
broader: CHEMONTID_0004706
formula: C17H19F3N6O6S
inchikey: IMEVJVISCHQJRM-UHFFFAOYSA-N
cas number: 126535-15-7
notation: TfsfrnC1y
in scheme: Conceptschema Chemische Stoffen

iprodion
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: ONUFESLQCSAYKA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002282
cas number: 61840-50-4
cas number: 36734-19-7
iupac name: 3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide @en
notation: ipDon
pubchem: 37517
formula: C13H13Cl2N3O3

cyclohexyl-isothiocyanaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: C1CCC(CC1)N=C=S
iupac name: ISOTHIOCYANATOCYCLOHEXANE @en
broader: CHEMONTID_0001234
inchi: InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
inchikey: MZSJGCPBOVTKHR-UHFFFAOYSA-N
formula: C7H11NS
pubchem: 14289
cas number: 1122-82-3
notation: ccC6yitoCN

perfluortridecaanzuur (pftrda)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: LVDGGZAZAYHXEY-UHFFFAOYSA-N
formula: C13HF25O2
inchi: InChI=1S/C13HF25O2/c14-2(15,1(39)40)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)38/h(H,39,40)
notation: PFTDA
notation: PFTrDA
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoic acid @en
alternative label: perfluor-n-tridecaanzuur (pftrda)
alternative label: perfluortridecaanzuur
in scheme: Conceptschema Chemische Stoffen
cas number: 72629-94-8
pubchem: 3018355
broader: CHEMONTID_0002949

2,4,4-trimethylpentaan-1,3-diylbis (2-methylpropanoaat)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 93439
smiles: CC(C)C(=O)OCC(C)C(C(C)(C)C)OC(=O)C(C)C
cas number: 74381-40-1
formula: C16H30O4
inchikey: PXNPSORLYYNBLA-UHFFFAOYSA-N
broader: CHEMONTID_0000346
iupac name: [2,4,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] 2-methylpropanoate @en
notation: 244TC1yC5a13
inchi: InChI=1S/C16H30O4/c1-10(2)14(17)19-9-12(5)13(16(6,7)8)20-15(18)11(3)4/h10-13H,9H2,1-8H3
in scheme: Conceptschema Chemische Stoffen

4-chloortolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: 4ClTol
pubchem: 7810
cas number: 106-43-4
cas number: 3327-51-3
in scheme: Conceptschema Chemische Stoffen
inchikey: NPDACUSDTOMAMK-UHFFFAOYSA-N
broader: CHEMONTID_0001099
inchi: InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
iupac name: 1-Chloro-4-methylbenzene @en
formula: C7H7Cl
smiles: CC1=CC=C(C=C1)Cl

pinoxaden
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: MGOHCFMYLBAPRN-UHFFFAOYSA-N
notation: pinadn
inchi: InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3
iupac name: [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[2,1-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate @en
pubchem: 210326
in scheme: Conceptschema Chemische Stoffen
formula: C23H32N2O4
cas number: 243973-20-8
broader: CHEMONTID_0002019

fosforzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1339-32-8
cas number: 9043-01-0
cas number: 28602-75-7
cas number: 9066-91-5
cas number: 9044-08-0
cas number: 7664-38-2
cas number: 178560-73-1
smiles: OP(=O)(O)O
iupac name: ['Phosphoric acid', 'tetrahydroxyphosphanium'] @en
inchi: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
pubchem: 1004
broader: CHEMONTID_0001073
in scheme: Conceptschema Chemische Stoffen
formula: H3O4P
notation: H3PO4
inchikey: NBIIXXVUZAFLBC-UHFFFAOYSA-N

chloortetracycline hydrochloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3;1H/b20-13-;/t7-,8-,15-,21-,22-;/m0./s1
broader: CHEMONTID_0000181
alternative label: chloortetracycline
in scheme: Conceptschema Chemische Stoffen
cas number: 57-62-5
cas number: 64-72-2
notation: ClT4ccne
notation: ClT4ccnHCl
iupac name: (2Z,4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride @en
inchikey: RRXOSDMYCQSQHB-MRYPCDLHSA-N
pubchem: 5282486
formula: C22H24Cl2N2O8

9-octadecenal
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C18H34O
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCC=CCCCCCCCC=O
notation: 9C18eal
pubchem: 5283381
inchi: InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+
cas number: 5090-41-5
iupac name: (E)-octadec-9-enal @en
inchikey: ZENZJGDPWWLORF-MDZDMXLPSA-N
broader: CHEMONTID_0000298

1-azido-2-methylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: ZKGVLNVASIPVAU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC=CC=C1N=[N+]=[N-]
notation: 1azd2C1yben
inchi: InChI=1S/C7H7N3/c1-6-4-2-3-5-7(6)9-10-8/h2-5H,1H3
iupac name: 1-azido-2-methylbenzene @en
broader: CHEMONTID_0000399
cas number: 31656-92-5
pubchem: 141652
formula: C7H7N3

n,n,3-trimethylaniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: NN3TC1yAn
formula: C9H13N
smiles: CC1=CC(=CC=C1)N(C)C
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3
alternative label: N,N,3-trimethylaniline
pubchem: 8488
iupac name: N,N,3-Trimethylaniline @en
cas number: 121-72-2
inchikey: CWOMTHDOJCARBY-UHFFFAOYSA-N
broader: CHEMONTID_0003964

tetrahydrothiofeen-1,1-dioxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C1CCS(=O)(=O)C1
cas number: 208252-54-4
cas number: 126-33-0
formula: C4H8O2S
in scheme: Conceptschema Chemische Stoffen
pubchem: 31347
iupac name: thiolane 1,1-dioxide @en
broader: CHEMONTID_0000233
notation: T4Htof11DO
inchikey: HXJUTPCZVOIRIF-UHFFFAOYSA-N
inchi: InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2

wolfraam 181
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 15749-46-9
inchikey: WFKWXMTUELFFGS-OIOBTWANSA-N
iupac name: tungsten-181 @en
smiles: [W]
broader: CHEMONTID_0000426
inchi: InChI=1S/W/i1-3
in scheme: Conceptschema Chemische Stoffen
formula: W
notation: W181
pubchem: 161143

beta-heptachloorepoxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: 1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene @en
cas number: 66240-71-9
cas number: 28044-82-8
cas number: 1024-57-3
cas number: 4067-30-5
cas number: 24717-72-4
cas number: 24699-42-1
inchikey: ZXFXBSWRVIQKOD-UHFFFAOYSA-N
broader: CHEMONTID_0002012
alternative label: cis-heptachloorepoxyde
alternative label: cis-heptachloorepoxide
formula: C10H5Cl7O
notation: cHpClepO
inchi: InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H
pubchem: 13930
in scheme: Conceptschema Chemische Stoffen

imazaquin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002552
pubchem: 54739
in scheme: Conceptschema Chemische Stoffen
notation: imzqn
inchi: InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
cas number: 81335-37-7
inchikey: CABMTIJINOIHOD-UHFFFAOYSA-N
formula: C17H17N3O3
iupac name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid @en

perfluor-n-butaansulfonzuur (pfbs)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0003961
alternative label: perfluorbutaansulfonzuur
alternative label: perfluorbutaansulfonzuur (pfbs)
alternative label: perfluor-n-butaansulfonzuur
inchi: InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)
inchikey: JGTNAGYHADQMCM-UHFFFAOYSA-N
pubchem: 67815
iupac name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid @en
notation: L_PFBS
notation: PFBS
in scheme: Conceptschema Chemische Stoffen
cas number: 59933-66-3
cas number: 375-73-5
formula: C4HF9O3S

sulfadimethoxine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide @en
formula: C12H14N4O4S
inchi: InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
cas number: 122-11-2
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen
inchikey: ZZORFUFYDOWNEF-UHFFFAOYSA-N
notation: sulfdmtoxne
pubchem: 5323

1,2-dimethyl-4-ethylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 13629
iupac name: 4-Ethyl-1,2-dimethylbenzene @en
notation: 12DC1y4C2yBe
formula: C10H14
smiles: CCC1=CC(=C(C=C1)C)C
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3
cas number: 934-80-5
broader: CHEMONTID_0004210
inchikey: SBUYFICWQNHBCM-UHFFFAOYSA-N

arachidonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: arcdnzr
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+
cas number: 506-32-1
cas number: 7771-44-0
smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
inchikey: YZXBAPSDXZZRGB-CGRWFSSPSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C20H32O2
pubchem: 5312542
iupac name: ['Icosa-5,8,11,14-tetraenoic acid', '(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid'] @en
broader: CHEMONTID_0002949

2,6-diethylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000284
cas number: 71477-82-2
cas number: 579-66-8
iupac name: 2,6-Diethylaniline @en
inchi: InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
formula: C10H15N
smiles: CCC1=C(C(=CC=C1)CC)N
pubchem: 11369
inchikey: FOYHNROGBXVLLX-UHFFFAOYSA-N
notation: 26DC2yAn

spinosynd
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: (1S,2S,5R,7S,9S,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-4,14-dimethyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione @en
inchikey: RDECBWLKMPEKPM-PSCJHHPTSA-N
cas number: 131929-63-0
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1
broader: CHEMONTID_0000282
pubchem: 183094
notation: spinsnD
alternative label: spinosynD
formula: C42H67NO10

n,n-bis(2-methylpropyl)amine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: bis[(2S)-butan-2-yl]azanium @en
inchi: InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3/p+1/t7-,8+
in scheme: Conceptschema Chemische Stoffen
alternative label: N,N-bis(2-methylpropyl)amine
smiles: CCC(C)[NH2+]C(C)CC
pubchem: 1550465
notation: NNb2C1yC3yAe
formula: C8H20N+
inchikey: OBYVIBDTOCAXSN-OCAPTIKFSA-O
broader: CHEMONTID_0002228
cas number: 110-96-3

triamcinolonacetonide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 6436
broader: CHEMONTID_0003095
cas number: 13586-95-3
cas number: 138265-06-2
cas number: 8054-16-8
cas number: 76-25-5
inchikey: YNDXUCZADRHECN-JNQJZLCISA-N
inchi: InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
iupac name: (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one @en
formula: C24H31FO6
notation: Tacnlnactnde
in scheme: Conceptschema Chemische Stoffen

4'-tertiair-butyl-2',6'-dimethylacetofenon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: 4ttC4y26DC1y
broader: CHEMONTID_0004298
formula: C14H20O
iupac name: 1-(4-tert-butyl-2,6-dimethylphenyl)ethanone @en
cas number: 2040-10-0
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3
pubchem: 74879
inchikey: JNHLHPMTMTYLCP-UHFFFAOYSA-N
smiles: CC1=CC(=CC(=C1C(=O)C)C)C(C)(C)C

rimsulfuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C14H17N5O7S2
broader: CHEMONTID_0001861
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-(3-ethylsulfonylpyridin-2-yl)sulfonylurea @en
cas number: 122931-48-0
pubchem: 91779
in scheme: Conceptschema Chemische Stoffen
notation: rimsfrn
inchi: InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)
inchikey: MEFOUWRMVYJCQC-UHFFFAOYSA-N

2-methyl-2-butaanthiol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 2C1yl2C4atol
inchikey: IQIBYAHJXQVQGB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001212
pubchem: 15511
formula: C5H12S
iupac name: 2-Methylbutane-2-thiol @en
cas number: 1679-09-0
inchi: InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3
smiles: CCC(C)(C)S

acridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: Acridine @en
notation: acdne
inchikey: DZBUGLKDJFMEHC-UHFFFAOYSA-N
formula: C13H9N
inchi: InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
smiles: C1=CC=C2C(=C1)C=C3C=CC=CC3=N2
pubchem: 9215
broader: CHEMONTID_0000274
cas number: 260-94-6

tetramethylsilicaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003265
cas number: 340701-13-5
cas number: 681-84-5
cas number: 213778-75-7
cas number: 188853-76-1
cas number: 251638-46-7
cas number: 294858-92-7
cas number: 12547-31-8
cas number: 136959-63-2
cas number: 25498-02-6
cas number: 113837-65-3
cas number: 299177-59-6
cas number: 143478-32-4
cas number: 12002-26-5
inchikey: LFQCEHFDDXELDD-UHFFFAOYSA-N
inchi: InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3
pubchem: 12682
formula: C4H12O4Si
smiles: CO[Si](OC)(OC)OC
iupac name: Tetramethoxysilane @en
in scheme: Conceptschema Chemische Stoffen
notation: T4C1ySiO4

diheptylftalaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0001350
notation: DC7yFt
inchi: InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
smiles: CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC
alternative label: di-n-heptylftalaat
pubchem: 19284
formula: C22H34O4
iupac name: diheptyl benzene-1,2-dicarboxylate @en
in scheme: Conceptschema Chemische Stoffen
inchikey: JQCXWCOOWVGKMT-UHFFFAOYSA-N
cas number: 3648-21-3
cas number: 68515-44-6
cas number: 275818-86-5

tellurium 132
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/Te/i1+4
cas number: 14234-28-7
broader: CHEMONTID_0000431
smiles: [Te]
notation: Te132
inchikey: PORWMNRCUJJQNO-RNFDNDRNSA-N
pubchem: 6336614
in scheme: Conceptschema Chemische Stoffen
formula: Te
iupac name: tellurium-132 @en

dimethyldioctadecylammonium bromide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 3700-67-2
cas number: 134821-46-8
pubchem: 77293
notation: DC1yDC18yNH4
formula: C38H80BrN
broader: CHEMONTID_0004225
iupac name: dimethyl-dioctadecylazanium bromide @en
in scheme: Conceptschema Chemische Stoffen
inchikey: PSLWZOIUBRXAQW-UHFFFAOYSA-M
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]

azitromycine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one @en
inchi: InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22?,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
cas number: 83905-01-5
formula: C38H72N2O12
inchikey: MQTOSJVFKKJCRP-OHJWJPDZSA-N
pubchem: 55185
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: aztmcne

capectiabine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C15H22FN3O6
cas number: 154361-50-9
cas number: 158798-73-3
iupac name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate @en
pubchem: 60953
notation: captabne
broader: CHEMONTID_0004502
inchikey: GAGWJHPBXLXJQN-UORFTKCHSA-N
inchi: InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1

tamoxifen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine @en
inchikey: NKANXQFJJICGDU-QPLCGJKRSA-N
pubchem: 2733526
broader: CHEMONTID_0000253
formula: C26H29NO
in scheme: Conceptschema Chemische Stoffen
cas number: 10540-29-1
inchi: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
notation: tamxfn

diisotridecylftalaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
alternative label: C13-rijk di-C11-14-vertakt alkylftalaat
cas number: 68515-47-9
cas number: 27253-26-5
in scheme: Conceptschema Chemische Stoffen
notation: C13D1114akFt
notation: DiC13yFt
inchikey: BCSGAWBQJHXXSE-UHFFFAOYSA-N
pubchem: 161559
broader: CHEMONTID_0001350
inchi: InChI=1S/C34H58O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-37-33(35)31-25-19-20-26-32(31)34(36)38-28-22-16-12-8-6-10-14-18-24-30(3)4/h19-20,25-26,29-30H,5-18,21-24,27-28H2,1-4H3
formula: C34H58O4
iupac name: bis(11-methyldodecyl) benzene-1,2-dicarboxylate @en

(e)-3-penteen-2-on
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001363
formula: C5H8O
in scheme: Conceptschema Chemische Stoffen
pubchem: 637920
iupac name: ['pent-3-en-2-one', '(E)-pent-3-en-2-one'] @en
inchi: InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
cas number: 3102-33-8
inchikey: LABTWGUMFABVFG-ONEGZZNKSA-N
smiles: CC=CC(=O)C
alternative label: (E)-3-penteen-2-on
notation: E-3C5e2on

N-amylamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C5H13N
cas number: 110-58-7
alternative label: n-amylamine
notation: NamAe
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
smiles: CCCCCN
inchikey: DPBLXKKOBLCELK-UHFFFAOYSA-N
pubchem: 8060
iupac name: pentan-1-amine @en
broader: CHEMONTID_0000469

chloorfenson
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0004309
notation: Clfsn
inchi: InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H
in scheme: Conceptschema Chemische Stoffen
pubchem: 6635
inchikey: RZXLPPRPEOUENN-UHFFFAOYSA-N
cas number: 80-33-1
formula: C12H8Cl2O3S
iupac name: (4-chlorophenyl) 4-chlorobenzenesulfonate @en

aldicarb
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 9570071
iupac name: [(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate @en
broader: CHEMONTID_0002285
inchi: InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
formula: C7H14N2O2S
cas number: 116-06-3
notation: alDcb
smiles: CC(C)(C=NOC(=O)NC)SC
in scheme: Conceptschema Chemische Stoffen
inchikey: QGLZXHRNAYXIBU-WEVVVXLNSA-N

cis-chloorfenvinfos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: ['[2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate', '[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate'] @en
inchi: InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-
notation: aClfvfs
alternative label: Alfa-chloorfenvinfos
inchikey: FSAVDKDHPDSCTO-WQLSENKSSA-N
cas number: 18708-87-7
cas number: 135373-33-0
pubchem: 5377784
formula: C12H14Cl3O4P
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564

2,4-dimethylpentaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: BZHMBWZPUJHVEE-UHFFFAOYSA-N
notation: 24DC1yC5a
formula: C7H16
broader: CHEMONTID_0004620
smiles: CC(C)CC(C)C
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,4-Dimethylpentane @en
cas number: 108-08-7
inchi: InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3
pubchem: 7907

glucose
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 10257-28-0
cas number: 26655-34-5
cas number: 579-36-2
cas number: 921-60-8
cas number: 6038-51-3
cas number: 3458-28-4
cas number: 50-99-7
cas number: 59-23-4
cas number: 39392-65-9
cas number: 2280-44-6
inchi: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
inchikey: WQZGKKKJIJFFOK-UHFFFAOYSA-N
smiles: C(C1C(C(C(C(O1)O)O)O)O)O
notation: glucse
broader: CHEMONTID_0001498
iupac name: 6-(hydroxymethyl)oxane-2,3,4,5-tetrol @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 206
formula: C6H12O6

isoxaflutool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004297
iupac name: (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone @en
pubchem: 84098
inchi: InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3
in scheme: Conceptschema Chemische Stoffen
formula: C15H12F3NO4S
cas number: 141112-29-0
inchikey: OYIKARCXOQLFHF-UHFFFAOYSA-N
notation: iOaftl

mangaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'mangaan en zijn verbindingen, uitgedrukt in Mn'
comment: VLAR III (D3, diverse art) 'Mn'
comment: VLAR II D5 'mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)'
comment: VLAR III (D3) 'Mangaan en mangaanverbindingen, uitgedrukt in mangaan (Mn)'
in scheme: Conceptschema Chemische Stoffen
notation: Mn
formula: Mn
pubchem: 23930
cas number: 19768-33-3
cas number: 39303-06-5
cas number: 22325-60-6
cas number: 8075-39-6
cas number: 7439-96-5
cas number: 17375-02-9
cas number: 195161-78-5
cas number: 8031-40-1
definition: mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)
is referenced by: LUC I 002
is referenced by: LUC III 010
inchi: InChI=1S/Mn
smiles: [Mn]
alternative label: Mangaan (Mn)
inchikey: PWHULOQIROXLJO-UHFFFAOYSA-N
iupac name: Manganese @en
broader: CHEMONTID_0000426

magnesiumchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: MgCl2
in scheme: Conceptschema Chemische Stoffen
pubchem: 24584
cas number: 77069-22-8
cas number: 12285-34-6
cas number: 7786-30-3
iupac name: Magnesium dichloride @en
inchikey: TWRXJAOTZQYOKJ-UHFFFAOYSA-L
inchi: InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2
broader: CHEMONTID_0000568
smiles: [Mg+2].[Cl-].[Cl-]
formula: Cl2Mg

binapacryl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 10234
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002319
inchikey: ZRDUSMYWDRPZRM-UHFFFAOYSA-N
iupac name: (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate @en
inchi: InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3
cas number: 485-31-4
smiles: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C
notation: binpcl
formula: C15H18N2O6

alkyl(C10-C13)benzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
alternative label: alkyl(c10-c13)benzeen
cas number: 6742-54-7
cas number: 67774-74-7
cas number: 129813-58-7
cas number: 29463-63-6
inchikey: XBEADGFTLHRJRB-UHFFFAOYSA-N
formula: C17H28
smiles: CCCCCCCCCCCC1=CC=CC=C1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002279
pubchem: 23194
iupac name: Undecylbenzene @en
inchi: InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3
notation: alkC10C13Ben

benzo(j)fluorantheen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 9152
notation: BjF
iupac name: pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene @en
cas number: 205-82-3
in scheme: Conceptschema Chemische Stoffen
formula: C20H12
broader: CHEMONTID_0000023
inchi: InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H
inchikey: KHNYNFUTFKJLDD-UHFFFAOYSA-N

2,3,5-trichlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 87676
notation: 235TClAn
inchi: InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(9)5(10)2-3/h1-2H,10H2
cas number: 18487-39-3
iupac name: 2,3,5-Trichloroaniline @en
broader: CHEMONTID_0000284
inchikey: MOTBXEPLFOLWHZ-UHFFFAOYSA-N
formula: C6H4Cl3N
smiles: C1=C(C=C(C(=C1N)Cl)Cl)Cl

furfural
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: C1=COC(=C1)C=O
alternative label: 2-furaldehyde
pubchem: 7362
comment: VLAREM II bijlage 4.4.2
notation: furfrl
in scheme: Conceptschema Chemische Stoffen
cas number: 98-01-1
inchikey: HYBBIBNJHNGZAN-UHFFFAOYSA-N
iupac name: furan-2-carbaldehyde @en
formula: C5H4O2
broader: CHEMONTID_0003213
inchi: InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H

1-octeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: KWKAKUADMBZCLK-UHFFFAOYSA-N
cas number: 68527-00-4
cas number: 111-66-0
cas number: 68526-54-5
pubchem: 8125
notation: 1C8e
broader: CHEMONTID_0004476
comment: VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'
is referenced by: LUC IV 000
is referenced by: LUC IV 011
is referenced by: LUC IV 005
iupac name: oct-1-ene @en
smiles: CCCCCCC=C
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
formula: C8H16

glutaminezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004323
inchikey: WHUUTDBJXJRKMK-UHFFFAOYSA-N
smiles: C(CC(=O)O)C(C(=O)O)N
pubchem: 611
inchi: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
notation: glutmnzr
in scheme: Conceptschema Chemische Stoffen
cas number: 56-86-0
cas number: 10549-13-0
cas number: 6893-26-1
cas number: 617-65-2
cas number: 138-16-9
cas number: 6899-05-4
formula: C5H9NO4
iupac name: 2-aminopentanedioic acid @en

thidiazuron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
pubchem: 40087
broader: CHEMONTID_0001935
inchikey: HFCYZXMHUIHAQI-UHFFFAOYSA-N
formula: C9H8N4OS
notation: thidazrn
cas number: 51707-55-2
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)NC(=O)NC2=CN=NS2
iupac name: 1-phenyl-3-(thiadiazol-5-yl)urea @en

nitrosonornicotine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001975
cas number: 16543-55-8
cas number: 64162-57-8
cas number: 53759-22-1
cas number: 80508-23-2
cas number: 64162-58-9
cas number: 84237-38-7
formula: C9H11N3O
inchikey: XKABJYQDMJTNGQ-UHFFFAOYSA-N
pubchem: 27919
iupac name: 3-(1-nitrosopyrrolidin-2-yl)pyridine @en
smiles: C1CC(N(C1)N=O)C2=CN=CC=C2
notation: NOnnctne
inchi: InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2

4-aminodifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)N
formula: C12H11N
notation: 4AoDFy
iupac name: 4-Phenylaniline @en
pubchem: 7102
inchikey: DMVOXQPQNTYEKQ-UHFFFAOYSA-N
broader: CHEMONTID_0000041
cas number: 92-67-1
inchi: InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2

2-chloorethanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1867-09-0
cas number: 59826-67-4
cas number: 107-07-3
broader: CHEMONTID_0002608
pubchem: 34
notation: 2ClC2ol
in scheme: Conceptschema Chemische Stoffen
formula: C2H5ClO
inchikey: SZIFAVKTNFCBPC-UHFFFAOYSA-N
inchi: InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
smiles: C(CCl)O
iupac name: ['2-CHLOROETHANOL', '2-chloroethynol'] @en

methyl 2-methylpropanoaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 547-63-7
smiles: CC(C)C(=O)OC
broader: CHEMONTID_0003416
notation: C1y2C1yppnat
inchikey: BHIWKHZACMWKOJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: Methyl 2-methylpropanoate @en
pubchem: 11039
formula: C5H10O2
inchi: InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3

kwik
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: Hg
comment: VLAR II (D5) 'kwik en zijn verbindingen' en 'kwik en kwikverbindingen, uitgedrukt als kwik(Hg)' en 'kwik en zijn verbindingen (uitgedrukt in Hg)'
comment: VLAR II bijl. 2.5.8.4 'totaal gasvormig kwik'
comment: VLAR III (D3) 'kwik en zijn verbindingen, uitgedrukt als kwik (Hg)'
comment: VLAR III (D3 art. 3.12.3.1.6) 'kwik'
comment: VLAR II (D2) 'kwik'
comment: VLAR III (D3, diverse art) 'Hg'
comment: VLAR II bijl. 4.4.2 'Kwik en zijn verbindingen, uitgedrukt in Hg'
comment: VLAR III (D3) 'kwik en kwikverbindingen, uitgedrukt als kwik (Hg)'
in scheme: Conceptschema Chemische Stoffen
inchikey: QSHDDOUJBYECFT-UHFFFAOYSA-N
cas number: 92786-62-4
cas number: 7439-97-6
cas number: 8030-64-6
cas number: 92355-34-5
cas number: 149038-91-5
cas number: 51887-47-9
cas number: 123720-03-6
iupac name: Mercury @en
formula: Hg
is referenced by: LUC I 002
is referenced by: LUC III 010
pubchem: 23931
inchi: InChI=1S/Hg
smiles: [Hg]
definition: kwik en kwikverbindingen, uitgedrukt als kwik (Hg)
broader: CHEMONTID_0000426
alternative label: kwik (Hg)

lood
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: lood (Pb)
cas number: 7439-92-1
cas number: 724427-66-1
cas number: 15158-12-0
cas number: 14701-27-0
cas number: 54076-28-7
comment: VLAR II bijl. 4.4.2 'lood en zijn verbindingen, uitgedrukt in Pb'
comment: VLAR II (D2), diverse artikels 'lood'
comment: VLAR III (D3) 'lood-verbindingen, uitgedrukt als Pb'
comment: VLAR III (D3, diverse art) 'Pb'
comment: VLAR II (D5) 'lood en zijn verbindingen, uitgedrukt in/als Pb' 'lood en loodverbindingen, uitgedrukt als lood (Pb)'
comment: VLAR III (D3) 'lood en loodverbindingen, uitgedrukt als lood (Pb)'
comment: VLAR III (D3, diverse art) 'lood en zijn verbindingen, uitgedrukt in Pb'
comment: VLAR bijl. 2.5.2. 'lood'
pubchem: 5352425
inchi: InChI=1S/Pb
smiles: [Pb]
definition: lood en loodverbindingen, uitgedrukt als lood (Pb)
is referenced by: LUC III 010
is referenced by: LUC I 002
broader: CHEMONTID_0000427
formula: Pb
in scheme: Conceptschema Chemische Stoffen
inchikey: WABPQHHGFIMREM-UHFFFAOYSA-N
notation: Pb
iupac name: Lead @en

aluminiumfosfide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/Al.P/q+3;-3
broader: CHEMONTID_0000444
inchikey: PGCGUUGEUBFBPP-UHFFFAOYSA-N
cas number: 20859-73-8
iupac name: aluminum phosphorus(-3) anion @en
notation: AlP
formula: AlP
in scheme: Conceptschema Chemische Stoffen
pubchem: 16126812
smiles: [Al+3].[P-3]

oxolinezuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: KYGZCKSPAKDVKC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002552
notation: Oolnzr
smiles: CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O
inchi: InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)
formula: C13H11NO5
cas number: 14698-29-4
pubchem: 4628
iupac name: 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid @en

linuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001935
formula: C9H10Cl2N2O2
inchikey: XKJMBINCVNINCA-UHFFFAOYSA-N
cas number: 330-55-2
cas number: 56645-87-5
pubchem: 9502
iupac name: 3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea @en
smiles: CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC
inchi: InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
notation: linrn
in scheme: Conceptschema Chemische Stoffen

2-methyl-1-propanal
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC(C)C=O
inchikey: AMIMRNSIRUDHCM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Methylpropanal @en
broader: CHEMONTID_0002230
notation: 2C1y1C3al
formula: C4H8O
pubchem: 6561
inchi: InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
cas number: 78-84-2
cas number: 26140-46-5

2,3,3',4,4',6-hexachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C12H4Cl6
iupac name: 1,2,3,5-tetrachloro-4-(3,4-dichlorophenyl)benzene @en
pubchem: 63072
inchi: InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-8(15)4-9(16)11(17)12(10)18/h1-4H
in scheme: Conceptschema Chemische Stoffen
notation: PCB158
cas number: 74472-42-7
broader: CHEMONTID_0003030
inchikey: ZQUPQXINXTWCQR-UHFFFAOYSA-N

arsenobetaïne
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004238
iupac name: 2-trimethylarsoniumylacetate @en
smiles: C[As+](C)(C)CC(=O)[O-]
pubchem: 47364
cas number: 64436-13-1
in scheme: Conceptschema Chemische Stoffen
formula: C5H11AsO2
inchikey: SPTHHTGLGVZZRH-UHFFFAOYSA-N
inchi: InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3

ammoniak
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 208990-07-2
cas number: 8007-57-6
cas number: 13774-92-0
cas number: 15194-15-7
cas number: 7664-41-7
cas number: 214478-05-4
cas number: 17778-88-0
smiles: N
inchi: InChI=1S/H3N/h1H3
comment: VLAR III (D3, diverse art) 'ammoniak'
comment: VLAR II (D2/D5) 'ammoniak' en 'ammoniak (NH3)' en 'NH3'
comment: VLAR III (D3, diverse art) 'NH3'
notation: NH3
formula: H3N
in scheme: Conceptschema Chemische Stoffen
iupac name: ['$l^{1}-azane', 'azane'] @en
inchikey: QGZKDVFQNNGYKY-UHFFFAOYSA-N
is referenced by: LUC III 003
broader: CHEMONTID_0000434
pubchem: 222
alternative label: ammoniak (NH3)

4-cyaan-1,2,3,4-tetrahydro-1-naftaleenacetonitril
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000048
formula: C14H14N2
inchi: InChI=1S/C14H14N2/c15-9-3-4-11-7-8-12(10-16)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-8H2
cas number: 57964-40-6
inchikey: JRUGFHHEKLYFPC-UHFFFAOYSA-N
notation: 4CN1234T4HNa
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile @en
pubchem: 154380
smiles: C1CC(C2=CC=CC=C2C1CCC#N)C#N

2,4-d isopropyl ester
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3
alternative label: 2,4-D isopropyl ester
iupac name: propan-2-yl 2-(2,4-dichlorophenoxy)acetate @en
pubchem: 7173
formula: C11H12Cl2O3
inchikey: WHOKDONDRZNCBC-UHFFFAOYSA-N
broader: CHEMONTID_0000417
notation: 24DiC3yEsr
cas number: 94-11-1
smiles: CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl

iso-carbamid
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: SBYAVOHNDJTVPA-UHFFFAOYSA-N
cas number: 30979-48-7
formula: C8H15N3O2
notation: icbmd
smiles: CC(C)CNC(=O)N1CCNC1=O
inchi: InChI=1S/C8H15N3O2/c1-6(2)5-10-8(13)11-4-3-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)
iupac name: N-(2-methylpropyl)-2-oxoimidazolidine-1-carboxamide @en
pubchem: 35699
broader: CHEMONTID_0000079
in scheme: Conceptschema Chemische Stoffen

fenothiocarb
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: HMIBKHHNXANVHR-UHFFFAOYSA-N
formula: C13H19NO2S
notation: gentocb
iupac name: S-[4-(phenoxy)butyl] dimethylaminomethanethioate @en
cas number: 62850-32-2
inchi: InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
smiles: CN(C)C(=O)SCCCCOC1=CC=CC=C1
pubchem: 44178
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen

dicyclohexylftalaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 55819-02-8
cas number: 169741-16-6
cas number: 84-61-7
pubchem: 6777
notation: DccC6yFt
in scheme: Conceptschema Chemische Stoffen
iupac name: dicyclohexyl benzene-1,2-dicarboxylate @en
inchi: InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
broader: CHEMONTID_0001350
inchikey: VOWAEIGWURALJQ-UHFFFAOYSA-N
formula: C20H26O4

niobium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: NIOBIUM @en
inchikey: GUCVJGMIXFAOAE-UHFFFAOYSA-N
cas number: 7440-03-1
cas number: 26842-13-7
broader: CHEMONTID_0000426
formula: Nb
smiles: [Nb]
pubchem: 23936
notation: Nb
inchi: InChI=1S/Nb
in scheme: Conceptschema Chemische Stoffen

didodecyldimethylammonium bromide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]
inchi: InChI=1S/C26H56N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1
notation: DC12yDC1yNH4
broader: CHEMONTID_0004225
alternative label: didodecyldimethylammonium
cas number: 3282-73-3
cas number: 13146-86-6
in scheme: Conceptschema Chemische Stoffen
inchikey: XRWMGCFJVKDVMD-UHFFFAOYSA-M
formula: C26H56BrN
iupac name: didodecyl-dimethylazanium bromide @en
pubchem: 18669

3-methylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC1=CC(=CC=C1)O
cas number: 15831-10-4
cas number: 108-39-4
alternative label: m-cresol
alternative label: 3-methylfenol (m-cresol)
inchi: InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
formula: C7H8O
inchikey: RLSSMJSEOOYNOY-UHFFFAOYSA-N
iupac name: 3-methylphenol @en
notation: mcresl
pubchem: 342
broader: CHEMONTID_0001273
in scheme: Conceptschema Chemische Stoffen

dichloormethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 75-09-2
cas number: 1605-72-7
inchikey: YMWUJEATGCHHMB-UHFFFAOYSA-N
iupac name: Dichloromethane @en
comment: VLAR II Art. 5.23.1.1.
comment: VLAR II Art. 5.4.3.1.4 'methyleenchloride'
comment: VLAR II bijl. 4.4.2
inchi: InChI=1S/CH2Cl2/c2-1-3/h1H2
is referenced by: LUC IV 000co:WAC IV B 040
is referenced by: LUC IV 002
is referenced by: LUC IV 011
notation: DClC1a
pubchem: 6344
in scheme: Conceptschema Chemische Stoffen
formula: CH2Cl2
smiles: C(Cl)Cl
broader: CHEMONTID_0004157

tert-butylamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 94896-77-2
cas number: 75-64-9
inchikey: YBRBMKDOPFTVDT-UHFFFAOYSA-N
smiles: CC(C)(C)N
pubchem: 6385
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
broader: CHEMONTID_0000469
iupac name: 2-methylpropan-2-amine @en
formula: C4H11N
notation: ttC4yAe

omeprazol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: ompzl
in scheme: Conceptschema Chemische Stoffen
formula: C17H19N3O3S
iupac name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole @en
cas number: 131959-78-9
cas number: 73590-58-6
cas number: 172964-80-6
pubchem: 4594
inchikey: SUBDBMMJDZJVOS-UHFFFAOYSA-N
inchi: InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
broader: CHEMONTID_0001891

salbutamol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: NDAUXUAQIAJITI-UHFFFAOYSA-N
pubchem: 2083
smiles: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O
in scheme: Conceptschema Chemische Stoffen
formula: C13H21NO3
broader: CHEMONTID_0000033
notation: salbtml
inchi: InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
cas number: 18559-94-9
cas number: 35763-26-9
iupac name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol @en

methoxyfenozide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: N-tert-butyl-N'-(3-methoxy-2-methylbenzoyl)-3,5-dimethylbenzohydrazide @en
formula: C22H28N2O3
inchikey: QCAWEPFNJXQPAN-UHFFFAOYSA-N
broader: CHEMONTID_0000176
notation: C1oxfnzde
inchi: InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)
in scheme: Conceptschema Chemische Stoffen
pubchem: 105010
cas number: 163442-56-6
cas number: 161050-58-4

2-nitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 2NO2Tol
inchikey: PLAZTCDQAHEYBI-UHFFFAOYSA-N
iupac name: 1-Methyl-2-nitrobenzene @en
smiles: CC1=CC=CC=C1[N+](=O)[O-]
cas number: 57158-05-1
cas number: 88-72-2
inchi: InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
pubchem: 6944
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
formula: C7H7NO2

2,2',4,4',6,6'-hexachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 36647
inchi: InChI=1S/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H
inchikey: ICOAEPDGFWLUTI-UHFFFAOYSA-N
broader: CHEMONTID_0003030
cas number: 33979-03-2
formula: C12H4Cl6
notation: PCB155
iupac name: 1,3,5-trichloro-2-(2,4,6-trichlorophenyl)benzene @en
in scheme: Conceptschema Chemische Stoffen

2,2',3,3',4,4',5,5'-octachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: 1,2,3,4-tetrachloro-5-(2,3,4,5-tetrachlorophenyl)benzene @en
formula: C12H2Cl8
inchikey: DTMRKGRREZAYAP-UHFFFAOYSA-N
cas number: 35694-08-7
pubchem: 37251
in scheme: Conceptschema Chemische Stoffen
notation: PCB194
broader: CHEMONTID_0003030
inchi: InChI=1S/C12H2Cl8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H

prometon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CC(C)NC1=NC(=NC(=N1)OC)NC(C)C
cas number: 1610-18-0
cas number: 11126-75-3
in scheme: Conceptschema Chemische Stoffen
notation: promtn
iupac name: 6-methoxy-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine @en
pubchem: 4928
broader: CHEMONTID_0004731
formula: C10H19N5O
inchikey: ISEUFVQQFVOBCY-UHFFFAOYSA-N
inchi: InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)

trimethoprim
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000138
inchikey: IEDVJHCEMCRBQM-UHFFFAOYSA-N
iupac name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine @en
pubchem: 5578
cas number: 738-70-5
notation: Tmtpm
inchi: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
in scheme: Conceptschema Chemische Stoffen
formula: C14H18N4O3
smiles: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N

cerium 144
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: GWXLDORMOJMVQZ-RNFDNDRNSA-N
inchi: InChI=1S/Ce/i1+4
in scheme: Conceptschema Chemische Stoffen
pubchem: 26874
broader: CHEMONTID_0000429
iupac name: cerium-144 @en
notation: Ce144
smiles: [Ce]
formula: Ce
cas number: 14762-78-8

cis-1,3-dichloorpropeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 542-75-6
cas number: 10061-01-5
alternative label: 1,3-dichloorpropeen
alternative label: 1,3-dichloorpropeen (cis+trans)
alternative label: 1,3-dichloorpropeen, cis
broader: CHEMONTID_0002863
formula: C3H4Cl2
pubchem: 5280970
notation: c13DClC3e
notation: 13DClC3e
in scheme: Conceptschema Chemische Stoffen
iupac name: (Z)-1,3-dichloroprop-1-ene @en
inchi: InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-
inchikey: UOORRWUZONOOLO-UPHRSURJSA-N
smiles: C(C=CCl)Cl

pipamperon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2448-68-2
cas number: 1893-33-0
broader: CHEMONTID_0004298
pubchem: 17139
inchikey: BMXXSXQVMCXGJM-UHFFFAOYSA-N
formula: C21H32Cl2FN3O2
inchi: InChI=1S/C21H30FN3O2.2ClH/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;;/h6-9H,1-5,10-16H2,(H2,23,27);2*1H
notation: pipprn
smiles: C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N.[Cl-].[Cl-]
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride @en

magnesium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: magnesium(+2) cation @en
is referenced by: WAC III A 009
notation: Mg
inchi: InChI=1S/Mg/q+2
broader: CHEMONTID_0000428
inchikey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
cas number: 22537-22-0
cas number: 7439-95-4
alternative label: magnesium, tweewaardig
pubchem: 888
in scheme: Conceptschema Chemische Stoffen
smiles: [Mg+2]
formula: Mg+2

2-chloorpropeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 11203
inchi: InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3
broader: CHEMONTID_0002863
inchikey: PNLQPWWBHXMFCA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C3H5Cl
iupac name: 2-chloroprop-1-ene @en
smiles: CC(=C)Cl
cas number: 557-98-2
notation: 2ClC3e

dimethylbenzylamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000185
smiles: CN(C)CC1=CC=CC=C1
cas number: 103-83-3
cas number: 59125-51-8
cas number: 28262-13-7
pubchem: 7681
iupac name: N,N-dimethyl-1-phenylmethanamine @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
inchikey: XXBDWLFCJWSEKW-UHFFFAOYSA-N
formula: C9H13N
notation: DC1ybenzAe

naftaleen-1,3,5-trisulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: INMHJULHWVWVFN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003601
iupac name: naphthalene-1,3,5-trisulfonic acid @en
formula: C10H8O9S3
cas number: 6654-64-4
pubchem: 81165
notation: Naf135Tsfzr
inchi: InChI=1S/C10H8O9S3/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)

levonorgestrel
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C21H28O2
cas number: 6533-00-2
cas number: 797-62-6
cas number: 4222-79-1
cas number: 121714-72-5
cas number: 797-63-7
broader: CHEMONTID_0003570
iupac name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one @en
notation: levngsl
inchikey: WWYNJERNGUHSAO-XUDSTZEESA-N
smiles: CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
inchi: InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
pubchem: 13109

flucloxacilline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: flucaclne
cas number: 5250-39-5
broader: CHEMONTID_0004830
inchikey: UIOFUWFRIANQPC-JKIFEVAISA-N
formula: C19H17ClFN3O5S
iupac name: (2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid @en
pubchem: 21319
in scheme: Conceptschema Chemische Stoffen

2-acetylpyrrol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 2actprl
cas number: 1072-83-9
smiles: CC(=O)C1=CC=CN1
formula: C6H7NO
in scheme: Conceptschema Chemische Stoffen
inchikey: IGJQUJNPMOYEJY-UHFFFAOYSA-N
pubchem: 14079
iupac name: 1-(1H-Pyrrol-2-yl)ethanone @en
inchi: InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
broader: CHEMONTID_0003671

m-benzidine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=CC(=C1)N)C2=CC(=CC=C2)N
formula: C12H12N2
inchi: InChI=1S/C12H12N2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,13-14H2
iupac name: 3-(3-aminophenyl)aniline @en
inchikey: NDXGRHCEHPFUSU-UHFFFAOYSA-N
cas number: 2050-89-7
broader: CHEMONTID_0000041
notation: mbenzdne
pubchem: 74912

dioxathion
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC
pubchem: 6531
in scheme: Conceptschema Chemische Stoffen
iupac name: (3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidenephosphorane @en
cas number: 78-34-2
broader: CHEMONTID_0001313
inchi: InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3
notation: DOxton
inchikey: VBKKVDGJXVOLNE-UHFFFAOYSA-N
formula: C12H26O6P2S4

gadobeenzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002995
cas number: 113662-23-0
cas number: 127000-20-8
cas number: 12700-20-8
inchikey: OCDAWJYGVOLXGZ-VPVMAENOSA-K
pubchem: 197281
formula: C36H62GdN5O21
notation: gadbzr
smiles: [H+].[H+].CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C22H31N3O11.2C7H17NO5.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1
iupac name: 2-[2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]-3-phenylmethoxypropanoate; gadolinium(+3) cation; hydron; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol @en

gadolinium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: Gd
iupac name: GADOLINIUM @en
inchi: InChI=1S/Gd
broader: CHEMONTID_0000429
cas number: 7440-54-2
cas number: 87677-94-9
cas number: 110123-54-1
pubchem: 23982
smiles: [Gd]
notation: Gd
in scheme: Conceptschema Chemische Stoffen
inchikey: UIWYJDYFSGRHKR-UHFFFAOYSA-N

2,2',3,3',4,4',5,6,6'-nonachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003030
formula: C12HCl9
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,4,6-tetrachlorophenyl)benzene @en
pubchem: 91648
cas number: 52663-79-3
notation: PCB207
inchikey: YGDPIDTZOQGPAX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12HCl9/c13-2-1-3(14)6(15)7(16)4(2)5-8(17)10(19)12(21)11(20)9(5)18/h1H

zinkoxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000538
notation: ZnO
smiles: O=[Zn]
cas number: 8047-69-6
cas number: 8011-84-5
cas number: 1314-13-2
cas number: 8050-42-8
cas number: 56592-00-8
cas number: 8047-36-7
cas number: 78590-82-6
cas number: 185461-95-4
cas number: 57206-86-7
cas number: 8051-03-4
inchi: InChI=1S/O.Zn
in scheme: Conceptschema Chemische Stoffen
inchikey: XLOMVQKBTHCTTD-UHFFFAOYSA-N
pubchem: 14806
formula: OZn
iupac name: oxozinc @en

1-chloordodecaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 8192
formula: C12H25Cl
broader: CHEMONTID_0001516
smiles: CCCCCCCCCCCCCl
cas number: 112-52-7
iupac name: 1-Chlorododecane @en
inchi: InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
notation: 1ClC12a
inchikey: YAYNEUUHHLGGAH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

benzoylprop
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: benzypp
cas number: 22212-56-2
broader: CHEMONTID_0004713
iupac name: 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoic acid @en
formula: C16H13Cl2NO3
pubchem: 90756
inchi: InChI=1S/C16H13Cl2NO3/c1-10(16(21)22)19(12-7-8-13(17)14(18)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)
inchikey: WZZRJCUYSKKFHO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

2,6-dichloornitrobenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000036
cas number: 601-88-7
inchi: InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
iupac name: 1,3-Dichloro-2-nitrobenzene @en
inchikey: VITSNECNFNNVQB-UHFFFAOYSA-N
pubchem: 11759
formula: C6H3Cl2NO2
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl

bis(2-ethylhexyl)ftalaat (dehp)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001350
iupac name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate @en
notation: DEHP
cas number: 117-81-7
cas number: 82208-43-3
cas number: 275818-89-8
cas number: 15495-94-0
cas number: 126639-29-0
cas number: 50885-87-5
cas number: 137718-37-7
cas number: 205180-59-2
cas number: 40120-69-2
cas number: 8033-53-2
alternative label: bis-(2-ethylhexyl)-ftalaat
alternative label: bis(2-ethylhexyl)ftalaat (DEHP)
alternative label: di(2-ethylhexyl)-ftalaat (dehp)
formula: C24H38O4
in scheme: Conceptschema Chemische Stoffen
inchikey: BJQHLKABXJIVAM-UHFFFAOYSA-N
inchi: InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
pubchem: 8343

buprenorfine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 55327-62-3
cas number: 53187-13-6
cas number: 53152-21-9
cas number: 64425-21-4
cas number: 52485-79-7
broader: CHEMONTID_0000025
inchikey: UAIXRPCCYXNJMQ-CHLZSUIASA-N
inchi: InChI=1S/C29H41NO4.ClH/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3;1H/t20-,21-,24-,26+,27-,28+,29?;/m1./s1
in scheme: Conceptschema Chemische Stoffen
iupac name: (1S,2S,6R,14R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride @en
pubchem: 11969480
notation: bupofne
formula: C29H42ClNO4

3,4-dichloorfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: 34DClFol
pubchem: 7258
cas number: 95-77-2
iupac name: 3,4-Dichlorophenol @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
formula: C6H4Cl2O
broader: CHEMONTID_0002564
inchikey: WDNBURPWRNALGP-UHFFFAOYSA-N
smiles: C1=CC(=C(C=C1O)Cl)Cl

tebufenpyrad
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
formula: C18H24ClN3O
iupac name: N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazole-3-carboxamide @en
inchikey: ZZYSLNWGKKDOML-UHFFFAOYSA-N
pubchem: 86354
notation: tebfprd
inchi: InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)
cas number: 119168-77-3

thioureum
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C(=N)(N)S
pubchem: 6118
notation: tourm
cas number: 62-56-6
iupac name: Thiourea @en
inchi: InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
in scheme: Conceptschema Chemische Stoffen
inchikey: UMGDCJDMYOKAJW-UHFFFAOYSA-N
formula: CH4N2S
broader: CHEMONTID_0001209

vanilline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 4-Hydroxy-3-methoxybenzaldehyde @en
inchi: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
cas number: 8014-42-4
cas number: 52447-63-9
cas number: 121-33-5
formula: C8H8O3
broader: CHEMONTID_0000190
in scheme: Conceptschema Chemische Stoffen
smiles: COC1=C(C=CC(=C1)C=O)O
notation: vanlne
pubchem: 1183
inchikey: MWOOGOJBHIARFG-UHFFFAOYSA-N

pcb77
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 32598-13-3
cas number: 80333-65-9
broader: CHEMONTID_0003030
alternative label: 3,3',4,4'-tetrachloorbifenyl
alternative label: 3,3',4,4'-tetrachloorbifenyl (pcb77)
alternative label: pcb 77
alternative label: PCB77
pubchem: 36187
in scheme: Conceptschema Chemische Stoffen
inchikey: UQMGJOKDKOLIDP-UHFFFAOYSA-N
iupac name: 1,2-dichloro-4-(3,4-dichlorophenyl)benzene @en
inchi: InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H
formula: C12H6Cl4
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl
notation: PCB77
is referenced by: LUC VI 002
comment: VLAR III (D3) 'dioxineachtige PCB's'

dimethylamine-hydrochloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 10473
cas number: 506-59-2
broader: CHEMONTID_0002228
iupac name: ['N-Methylmethanamine hydrochloride', 'hydron; N-methylmethanamine; chloride'] @en
smiles: CNC.Cl
notation: DC1yAeHCl
in scheme: Conceptschema Chemische Stoffen
formula: C2H8ClN
inchi: InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H
inchikey: IQDGSYLLQPDQDV-UHFFFAOYSA-N

butyl ftalyl butyl glycolaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001350
cas number: 85-70-1
iupac name: O2-(2-butoxy-2-oxoethyl) O1-butyl benzene-1,2-dicarboxylate @en
in scheme: Conceptschema Chemische Stoffen
formula: C18H24O6
inchi: InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3
smiles: CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC
pubchem: 6819
notation: C4yFtyC4ygcl
inchikey: GOJCZVPJCKEBQV-UHFFFAOYSA-N

pyridaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: pyrdt
in scheme: Conceptschema Chemische Stoffen
cas number: 55512-33-9
broader: CHEMONTID_0004147
iupac name: (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate @en
formula: C19H23ClN2O2S
pubchem: 41463
inchikey: JTZCTMAVMHRNTR-UHFFFAOYSA-N

4-tert-butylfenylglycidylether
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 71281-67-9
cas number: 99938-81-5
cas number: 3101-60-8
cas number: 128994-01-4
cas number: 124632-41-3
cas number: 29298-03-1
iupac name: 2-[(4-tert-butylphenoxy)methyl]oxirane @en
formula: C13H18O2
inchi: InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3
smiles: CC(C)(C)C1=CC=C(C=C1)OCC2CO2
pubchem: 18360
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002811
notation: 4ttC4yFygcdE
inchikey: HHRACYLRBOUBKM-UHFFFAOYSA-N

1-chloor-1,1-difluorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CC(F)(F)Cl
iupac name: 1-Chloro-1,1-difluoroethane @en
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK142b
formula: C2H3ClF2
inchi: InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3
cas number: 65762-25-6
cas number: 75-68-3
inchikey: BHNZEZWIUMJCGF-UHFFFAOYSA-N
pubchem: 6388

n-(1-methylpropyl)-2-butaanamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
alternative label: N-(1-methylpropyl)-2-butaanamine
broader: CHEMONTID_0002228
cas number: 626-23-3
in scheme: Conceptschema Chemische Stoffen
iupac name: N-butan-2-ylbutan-2-amine @en
smiles: CCC(C)NC(C)CC
inchi: InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3
inchikey: OBYVIBDTOCAXSN-UHFFFAOYSA-N
notation: N1C1yC3y2C4a
pubchem: 12277
formula: C8H19N

2,2',3,4',5',6-hexachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 1,2,4-trichloro-5-(2,3,6-trichlorophenyl)benzene @en
inchi: InChI=1S/C12H4Cl6/c13-6-1-2-7(14)12(18)11(6)5-3-9(16)10(17)4-8(5)15/h1-4H
pubchem: 38016
broader: CHEMONTID_0003030
cas number: 38380-04-0
notation: PCB149
inchikey: LKHLFUVHHXCNJH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C12H4Cl6

metalaxyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 42586
smiles: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC
inchi: InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3
cas number: 102256-63-3
cas number: 57837-19-1
formula: C15H21NO4
notation: mlxl
inchikey: ZQEIXNIJLIKNTD-UHFFFAOYSA-N
iupac name: methyl 2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoate @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000394

4,6-dichloor-2-methylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 2,4-Dichloro-6-methylphenol @en
formula: C7H6Cl2O
smiles: CC1=CC(=CC(=C1O)Cl)Cl
notation: 46DCl2C1yFol
inchikey: WJQZZLQMLJPKQH-UHFFFAOYSA-N
inchi: InChI=1S/C7H6Cl2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
pubchem: 15292
cas number: 1570-65-6
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564

methylethylpyridine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: NTSLROIKFLNUIJ-UHFFFAOYSA-N
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3
broader: CHEMONTID_0004152
smiles: CCC1=CN=C(C=C1)C
in scheme: Conceptschema Chemische Stoffen
notation: C1yC2yprdne
cas number: 104-90-5
pubchem: 7728
iupac name: 5-Ethyl-2-methylpyridine @en

hydroxybenzothiazole
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 3H-1,3-benzothiazol-2-one @en
formula: C7H5NOS
cas number: 60362-05-2
cas number: 934-34-9
cas number: 92353-21-4
cas number: 4464-59-9
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
inchikey: YEDUAINPPJYDJZ-UHFFFAOYSA-N
pubchem: 13625
notation: 2HOxbenztazl
alternative label: 2-hydroxybenzothiazol
smiles: C1=CC=C2C(=C1)NC(=O)S2
inchi: InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

demeton-o-methyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C6H15O3PS2
pubchem: 13346
inchikey: ZVZQKNVMDKSGGF-UHFFFAOYSA-N
cas number: 867-27-6
smiles: CCSCCOP(=S)(OC)OC
inchi: InChI=1S/C6H15O3PS2/c1-4-12-6-5-9-10(11,7-2)8-3/h4-6H2,1-3H3
broader: CHEMONTID_0003384
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-ethylsulfanylethoxy-dimethoxy-sulfanylidenephosphorane @en

furathiocarb
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: HAWJXYBZNNRMNO-UHFFFAOYSA-N
notation: furtocb
broader: CHEMONTID_0004189
pubchem: 47759
inchi: InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3
cas number: 78320-89-5
cas number: 65907-30-4
iupac name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(butoxycarbonyl-methylamino)sulfanyl-N-methylcarbamate @en
in scheme: Conceptschema Chemische Stoffen
formula: C18H26N2O5S

iopamidol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: XQZXYNRDCRIARQ-LURJTMIESA-N
alternative label: jopamidol
pubchem: 65492
in scheme: Conceptschema Chemische Stoffen
formula: C17H22I3N3O8
iupac name: N,N'-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide @en
broader: CHEMONTID_0004361
inchi: InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1
cas number: 60166-93-0
notation: jopmdl

uranium 234
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: uranium-234 @en
formula: U
cas number: 13966-29-5
pubchem: 61704
smiles: [U]
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000430
notation: U234
inchi: InChI=1S/U/i1-4
inchikey: JFALSRSLKYAFGM-AHCXROLUSA-N

perfluor-4-ethylcyclohexaansulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 101650
notation: PFECHS
cas number: 646-83-3
formula: C8HF15O3S
inchi: InChI=1S/C8HF15O3S/c9-1(4(14,15)8(21,22)23)2(10,11)5(16,17)7(20,27(24,25)26)6(18,19)3(1,12)13/h(H,24,25,26)
inchikey: ICKAEAFPESRWOT-UHFFFAOYSA-N
iupac name: 1,2,2,3,3,4,5,5,6,6-decafluoro-4-(1,1,2,2,2-pentafluoroethyl)cyclohexane-1-sulfonic acid @en
broader: CHEMONTID_0004485

ethylhexaandiol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001334
iupac name: 2-Ethylhexane-1,3-diol @en
smiles: CCCC(C(CC)CO)O
inchi: InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3
cas number: 1321-34-2
cas number: 94-96-2
inchikey: RWLALWYNXFYRGW-UHFFFAOYSA-N
pubchem: 7211
notation: C2yC6aDol
in scheme: Conceptschema Chemische Stoffen
formula: C8H18O2

1,3-dinitrobenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: 13DNO2Ben
formula: C6H4N2O4
iupac name: 1,3-Dinitrobenzene @en
broader: CHEMONTID_0000036
cas number: 99-65-0
smiles: C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
inchi: InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
pubchem: 7452
in scheme: Conceptschema Chemische Stoffen
inchikey: WDCYWAQPCXBPJA-UHFFFAOYSA-N

sulfamerazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 5325
cas number: 127-79-7
cas number: 99482-27-6
formula: C11H12N4O2S
broader: CHEMONTID_0001925
alternative label: sulfamerazin
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide @en
notation: sulfmrzn
smiles: CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N
inchikey: QPPBRPIAZZHUNT-UHFFFAOYSA-N
inchi: InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)

octamethylcyclotetrasiloxaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane @en
inchi: InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3
cas number: 104986-37-0
cas number: 83874-62-8
cas number: 556-67-2
pubchem: 11169
inchikey: HMMGMWAXVFQUOA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: OcC1yccT4slx
broader: CHEMONTID_0004445
formula: C8H24O4Si4

1,4-dibutoxybenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C14H22O2
in scheme: Conceptschema Chemische Stoffen
cas number: 104-36-9
iupac name: 1,4-Dibutoxybenzene @en
broader: CHEMONTID_0002341
pubchem: 66911
inchi: InChI=1S/C14H22O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
smiles: CCCCOC1=CC=C(C=C1)OCCCC
notation: 14DC4oxBen
inchikey: ZROGCHDPRZRKTI-UHFFFAOYSA-N

profam
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C10H13NO2
smiles: CC(C)OC(=O)NC1=CC=CC=C1
in scheme: Conceptschema Chemische Stoffen
inchikey: VXPLXMJHHKHSOA-UHFFFAOYSA-N
broader: CHEMONTID_0004714
pubchem: 24685
cas number: 122-42-9
inchi: InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
iupac name: propan-2-yl N-phenylcarbamate @en
notation: profm

1,1,2-trichloortrifluorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C2Cl3F3
cas number: 57762-34-2
cas number: 76-13-1
cas number: 39349-94-5
cas number: 59948-56-0
cas number: 56996-61-3
alternative label: 1,1,2-trichloortrifluor-ethaan
alternative label: 1,1,2-trichloor-1,2,2-trifluorethaan
notation: CFK113
in scheme: Conceptschema Chemische Stoffen
inchikey: AJDIZQLSFPQPEY-UHFFFAOYSA-N
broader: CHEMONTID_0004521
smiles: C(C(F)(Cl)Cl)(F)(F)Cl
pubchem: 6428
iupac name: 1,1,2-Trichloro-1,2,2-trifluoroethane @en
inchi: InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8

koolstofdioxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000554
inchi: InChI=1S/CO2/c2-1-3
cas number: 39310-68-4
cas number: 122427-25-2
cas number: 12181-60-1
cas number: 18923-20-1
cas number: 85540-96-1
cas number: 124-38-9
cas number: 34496-91-8
is referenced by: LUC II 001
pubchem: 280
comment: VLAR II (D1, definities)
comment: VLAR III (D3, Art. 3.6.2.6.1) (CO2-gehalte'
formula: CO2
inchikey: CURLTUGMZLYLDI-UHFFFAOYSA-N
smiles: C(=O)=O
in scheme: Conceptschema Chemische Stoffen
alternative label: koolstofdioxide (CO2)
notation: CO2
iupac name: carbon dioxide @en

pyracarbolid
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 32597
smiles: CC1=C(CCCO1)C(=O)NC2=CC=CC=C2
cas number: 24691-76-7
formula: C13H15NO2
notation: pyrcbld
broader: CHEMONTID_0000285
iupac name: 2-methyl-N-phenyl-5,6-dihydro-4H-pyran-3-carboxamide @en
inchi: InChI=1S/C13H15NO2/c1-10-12(8-5-9-16-10)13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)
in scheme: Conceptschema Chemische Stoffen
inchikey: YPCALTGLHFLNGA-UHFFFAOYSA-N

dibroomacetonitril
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: NDSBDLSWTGLNQA-UHFFFAOYSA-N
inchi: InChI=1S/C2HBr2N/c3-2(4)1-5/h2H
cas number: 3252-43-5
notation: DBractntl
pubchem: 18617
broader: CHEMONTID_0000362
smiles: C(#N)C(Br)Br
iupac name: 2,2-dibromoacetonitrile @en
formula: C2HBr2N

p-terfenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: XJKSTNDFUHDPQJ-UHFFFAOYSA-N
cas number: 75831-65-1
cas number: 26140-60-3
cas number: 92-94-4
cas number: 94363-13-0
in scheme: Conceptschema Chemische Stoffen
formula: C18H14
broader: CHEMONTID_0002126
iupac name: 1,4-di(phenyl)benzene @en
inchi: InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H
notation: pTFy
pubchem: 7115
smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3

quinoline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C9H7N
iupac name: Quinoline @en
notation: quinlne
cas number: 91-22-5
cas number: 20214-07-7
inchikey: SMWDFEZZVXVKRB-UHFFFAOYSA-N
smiles: C1=CC=C2C(=C1)C=CC=N2
pubchem: 7047
inchi: InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
broader: CHEMONTID_0001253
in scheme: Conceptschema Chemische Stoffen

americium 241
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: americium-241 @en
notation: Am241
smiles: [Am]
cas number: 14596-10-2
cas number: 86954-36-1
inchi: InChI=1S/Am/i1-2
inchikey: LXQXZNRPTYVCNG-YPZZEJLDSA-N
formula: Am
pubchem: 104726
broader: CHEMONTID_0000430

difluor
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7782-41-4
cas number: 28077-97-6
inchi: InChI=1S/F2/c1-2
pubchem: 24524
notation: F2
formula: F2
smiles: FF
iupac name: molecular fluorine @en
broader: CHEMONTID_0000432
inchikey: PXGOKWXKJXAPGV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

9-butyldocosaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C26H54
pubchem: 291309
broader: CHEMONTID_0004620
notation: 9C4yC22a
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCC(CCCC)CCCCCCCC
inchikey: OIHDCDZZRDGEIB-UHFFFAOYSA-N
inchi: InChI=1S/C26H54/c1-4-7-10-12-14-15-16-17-18-20-22-25-26(23-9-6-3)24-21-19-13-11-8-5-2/h26H,4-25H2,1-3H3
iupac name: 9-butyldocosane @en
cas number: 55282-14-9

2,6-dichloor-3-methylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CC1=C(C(=C(C=C1)Cl)N)Cl
inchi: InChI=1S/C7H7Cl2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3
notation: 26DCl3C1yAn
broader: CHEMONTID_0002564
iupac name: 2,6-Dichloro-3-methylaniline @en
inchikey: AYVZXDFCFQSWJD-UHFFFAOYSA-N
pubchem: 116529
formula: C7H7Cl2N
in scheme: Conceptschema Chemische Stoffen
cas number: 64063-37-2

perfluorpentaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2706-90-3
inchikey: CXZGQIAOTKWCDB-UHFFFAOYSA-N
pubchem: 75921
smiles: C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid @en
notation: PFPA
notation: PFPeA
alternative label: perfluor-n-pentaanzuur
alternative label: perfluor-n-pentaanzuur (pfpea)
alternative label: perfluorpentaanzuur (pfpea)
broader: CHEMONTID_0003962
inchi: InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
formula: C5HF9O2

carbetamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1
broader: CHEMONTID_0004714
notation: carbtAd
in scheme: Conceptschema Chemische Stoffen
formula: C12H16N2O3
cas number: 16118-49-3
iupac name: [(2S)-1-ethylamino-1-oxopropan-2-yl] N-phenylcarbamate @en
pubchem: 443067
smiles: CCNC(=O)C(C)OC(=O)NC1=CC=CC=C1
inchikey: AMRQXHFXNZFDCH-VIFPVBQESA-N

tri(2-chloorethyl)fosfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 115-96-8
cas number: 68411-66-5
cas number: 21343-84-0
alternative label: tris-(2-chloorethyl)-fosfaat
pubchem: 8295
inchikey: HQUQLFOMPYWACS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003460
smiles: C(CCl)OP(=O)(OCCCl)OCCCl
inchi: InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2
notation: T2ClC2yPO4
formula: C6H12Cl3O4P
iupac name: ['Tris(2-chloroethyl) phosphate', 'tris(2-chloroethoxy)-hydroxyphosphanium'] @en

3-isopropylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3
cas number: 618-45-1
cas number: 90480-88-9
iupac name: 3-propan-2-ylphenol @en
in scheme: Conceptschema Chemische Stoffen
inchikey: VLJSLTNSFSOYQR-UHFFFAOYSA-N
smiles: CC(C)C1=CC(=CC=C1)O
notation: 3iC3yFol
pubchem: 12059
formula: C9H12O
broader: CHEMONTID_0000355

kobalt 58
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: GUTLYIVDDKVIGB-BJUDXGSMSA-N
notation: Co58
inchi: InChI=1S/Co/i1-1
in scheme: Conceptschema Chemische Stoffen
pubchem: 104844
cas number: 13981-38-9
iupac name: cobalt-58 @en
smiles: [Co]
broader: CHEMONTID_0000426
formula: Co

sulcofuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: sulcfrn
inchikey: MKUMTCOTMQPYTQ-UHFFFAOYSA-N
cas number: 24019-05-4
pubchem: 62506
iupac name: 5-chloro-2-[4-chloro-2-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]benzenesulfonic acid @en
formula: C19H12Cl4N2O5S

methyl-3-hydroxyfenylcarbamaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0004714
formula: C8H9NO3
smiles: COC(=O)NC1=CC(=CC=C1)O
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H9NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)
inchikey: FFQQCJGNKKIRMD-UHFFFAOYSA-N
pubchem: 26181
cas number: 13683-89-1
iupac name: methyl N-(3-hydroxyphenyl)carbamate @en
notation: MHPC

1,1,2-trichloorethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C(C(Cl)Cl)Cl
pubchem: 6574
iupac name: 1,1,2-TRICHLOROETHANE @en
formula: C2H3Cl3
broader: CHEMONTID_0001516
is referenced by: LUC IV 000
is referenced by: LUC IV 002
is referenced by: LUC IV 011
inchikey: UBOXGVDOUJQMTN-UHFFFAOYSA-N
notation: 112TClC2a
cas number: 79-00-5
inchi: InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II bijl. 4.4.2

2,2',3,3',4,4',5,5',6,6'-decabroombifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenyl)benzene @en
pubchem: 26164
broader: CHEMONTID_0003954
inchikey: AQPHBYQUCKHJLT-UHFFFAOYSA-N
cas number: 13654-09-6
cas number: 39282-95-6
inchi: InChI=1S/C12Br10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
formula: C12Br10
notation: PBB209

tiapride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 39855
cas number: 51012-32-9
formula: C15H25ClN2O4S
in scheme: Conceptschema Chemische Stoffen
iupac name: diethyl-[2-[(2-methoxy-5-methylsulfonylbenzoyl)amino]ethyl]azanium chloride @en
notation: tiapde
broader: CHEMONTID_0000178
inchi: InChI=1S/C15H24N2O4S.ClH/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3;/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18);1H
inchikey: OTFDPNXIVHBTKW-UHFFFAOYSA-N

tetraethylpyrofosfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CCOP(=O)(OCC)OP(=O)(OCC)OCC
pubchem: 7873
inchi: InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3
cas number: 107-49-3
iupac name: diethoxyphosphoryl diethyl phosphate @en
formula: C8H20O7P2
inchikey: IDCBOTIENDVCBQ-UHFFFAOYSA-N
broader: CHEMONTID_0001804
notation: TEPP

fuberidazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2-furan-2-yl-1H-benzimidazole @en
smiles: C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3
broader: CHEMONTID_0000294
in scheme: Conceptschema Chemische Stoffen
cas number: 3878-19-1
inchi: InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)
pubchem: 19756
formula: C11H8N2O
notation: fubrdzl
inchikey: UYJUZNLFJAWNEZ-UHFFFAOYSA-N

curium 245
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: [Cm]
broader: CHEMONTID_0000430
inchi: InChI=1S/Cm/i1-2
cas number: 15621-76-8
formula: Cm
pubchem: 167319
notation: Cm245
inchikey: NIWWFAAXEMMFMS-YPZZEJLDSA-N
iupac name: curium-245 @en
in scheme: Conceptschema Chemische Stoffen

2,6-dimethylquinoline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: 26DC1yqnlne
inchi: InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3
formula: C11H11N
pubchem: 13414
iupac name: 2,6-Dimethylquinoline @en
smiles: CC1=CC2=C(C=C1)N=C(C=C2)C
inchikey: JJPSZKIOGBRMHK-UHFFFAOYSA-N
cas number: 877-43-0
broader: CHEMONTID_0001253

paracetamol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 8055-08-1
cas number: 103-90-2
iupac name: N-(4-Hydroxyphenyl)acetamide @en
inchikey: RZVAJINKPMORJF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004646
smiles: CC(=O)NC1=CC=C(C=C1)O
pubchem: 1983
notation: parctml
formula: C8H9NO2
inchi: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)

1,3,5-trinitrobenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 7434
inchi: InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
notation: 135TNO2Ben
smiles: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
iupac name: 1,3,5-Trinitrobenzene @en
broader: CHEMONTID_0000036
formula: C6H3N3O6
inchikey: UATJOMSPNYCXIX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 99-35-4

quinoxyfen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: 5,7-dichloro-4-(4-fluorophenoxy)quinoline @en
inchi: InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H
broader: CHEMONTID_0002463
inchikey: WRPIRSINYZBGPK-UHFFFAOYSA-N
pubchem: 3391107
cas number: 124495-18-7
notation: quinoxfn
formula: C15H8Cl2FNO

1,1-dimethylethyl-2-methoxyfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C11H16O2
cas number: 53894-31-8
smiles: CC(C)(C)C1=CC(=C(C=C1)O)OC
iupac name: 4-tert-butyl-2-methoxyphenol @en
in scheme: Conceptschema Chemische Stoffen
inchikey: SERZNTMEVJWJSA-UHFFFAOYSA-N
pubchem: 40919
inchi: InChI=1S/C11H16O2/c1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5-7,12H,1-4H3
broader: CHEMONTID_0000190
notation: 11DC1yC2y2C1

2-naftylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 91-59-8
notation: 2AoNaf
comment: VLAREM II bijlage 4.4.2
alternative label: 2-aminonaftaleen
pubchem: 7057
inchikey: JBIJLHTVPXGSAM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C10H9N
broader: CHEMONTID_0000023
iupac name: naphthalen-2-amine @en
inchi: InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2
smiles: C1=CC=C2C=C(C=CC2=C1)N

2,4,5-trichloorfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 95-95-4
cas number: 77001-45-7
inchi: InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
pubchem: 7271
formula: C6H3Cl3O
smiles: C1=C(C(=CC(=C1Cl)Cl)Cl)O
inchikey: LHJGJYXLEPZJPM-UHFFFAOYSA-N
iupac name: 2,4,5-Trichlorophenol @en
notation: 245TClFol
broader: CHEMONTID_0002772

fenofibraat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
broader: CHEMONTID_0000120
notation: fenfbt
cas number: 49562-28-9
iupac name: propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate @en
pubchem: 3339
formula: C20H21ClO4
in scheme: Conceptschema Chemische Stoffen
inchikey: YMTINGFKWWXKFG-UHFFFAOYSA-N

lithium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 7439-93-2
cas number: 64975-42-4
cas number: 159577-72-7
broader: CHEMONTID_0000425
pubchem: 3028194
notation: Li
in scheme: Conceptschema Chemische Stoffen
iupac name: LITHIUM @en
inchi: InChI=1S/Li
formula: Li
smiles: [Li]
inchikey: WHXSMMKQMYFTQS-UHFFFAOYSA-N

cortison
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
cas number: 53-06-5
pubchem: 222786
formula: C21H28O5
inchi: InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
notation: cortsn
inchikey: MFYSYFVPBJMHGN-ZPOLXVRWSA-N
iupac name: (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione @en

dipicrylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: CBCIHIVRDWLAME-UHFFFAOYSA-N
broader: CHEMONTID_0000036
formula: C12H5N7O12
smiles: C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
cas number: 131-73-7
notation: DpicAe
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H
iupac name: 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline @en
pubchem: 8576

dipropyleenglycol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 6537503
broader: CHEMONTID_0001092
inchikey: QYSXYAURTRCDJU-UHFFFAOYSA-N
iupac name: 1-(1-hydroxypropoxy)propan-1-ol @en
in scheme: Conceptschema Chemische Stoffen
cas number: 25265-71-8
smiles: CCC(O)OC(CC)O
notation: DC3eygcl
formula: C6H14O3
inchi: InChI=1S/C6H14O3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3

mesalazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: KBOPZPXVLCULAV-UHFFFAOYSA-N
inchi: InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
cas number: 89-57-6
cas number: 61513-32-4
notation: meslzne
in scheme: Conceptschema Chemische Stoffen
iupac name: 5-Amino-2-hydroxybenzoic acid @en
smiles: C1=CC(=C(C=C1N)C(=O)O)O
pubchem: 4075
broader: CHEMONTID_0002948
formula: C7H7NO3

di-isohexylftalaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C20H30O4
cas number: 146-50-9
cas number: 71850-09-4
cas number: 68515-50-4
in scheme: Conceptschema Chemische Stoffen
pubchem: 8970
inchi: InChI=1S/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3
iupac name: bis(4-methylpentyl) benzene-1,2-dicarboxylate @en
inchikey: ALEROMXYYSQFLX-UHFFFAOYSA-N
smiles: CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C
alternative label: di-isohexylftalaat (mix van isomeren)
broader: CHEMONTID_0001350

demeton-o
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C8H19O3PS2
cas number: 298-03-3
pubchem: 9273
broader: CHEMONTID_0003384
notation: demtnO
iupac name: diethoxy-(2-ethylsulfanylethoxy)-sulfanylidenephosphorane @en
smiles: CCOP(=S)(OCC)OCCSCC
inchikey: DGLIBALSRMUQDD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
alternative label: demeton-O
inchi: InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3

2-tert-butylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0002811
notation: 2ttC4yFol
in scheme: Conceptschema Chemische Stoffen
pubchem: 6923
inchi: InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
iupac name: 2-tert-Butylphenol @en
formula: C10H14O
smiles: CC(C)(C)C1=CC=CC=C1O
cas number: 27178-34-3
cas number: 88-18-6
inchikey: WJQOZHYUIDYNHM-UHFFFAOYSA-N

atrazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 93616-39-8
cas number: 12797-72-7
cas number: 11121-31-6
cas number: 69771-31-9
cas number: 39400-72-1
cas number: 1912-24-9
cas number: 12040-45-8
iupac name: 6-chloro-N'-ethyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
inchikey: MXWJVTOOROXGIU-UHFFFAOYSA-N
broader: CHEMONTID_0004721
formula: C8H14ClN5
in scheme: Conceptschema Chemische Stoffen
smiles: CCNC1=NC(=NC(=N1)Cl)NC(C)C
inchi: InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
pubchem: 2256
notation: atzne

methyl-4-hydroxybenzoaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: C1y4HOxbzat
smiles: COC(=O)C1=CC=C(C=C1)O
pubchem: 7456
inchi: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
in scheme: Conceptschema Chemische Stoffen
formula: C8H8O3
iupac name: Methyl 4-hydroxybenzoate @en
broader: CHEMONTID_0004702
inchikey: LXCFILQKKLGQFO-UHFFFAOYSA-N
cas number: 99-76-3

methylflamprop
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 52756-25-9
iupac name: methyl 2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate @en
inchikey: RBNIGDFIUWJJEV-UHFFFAOYSA-N
pubchem: 40521
formula: C17H15ClFNO3
notation: C1yfpp
broader: CHEMONTID_0004713
inchi: InChI=1S/C17H15ClFNO3/c1-11(17(22)23-2)20(13-8-9-15(19)14(18)10-13)16(21)12-6-4-3-5-7-12/h3-11H,1-2H3
in scheme: Conceptschema Chemische Stoffen

thiram
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 56645-31-9
cas number: 39456-80-9
cas number: 66173-72-6
cas number: 137-26-8
cas number: 93196-73-7
cas number: 12680-62-5
cas number: 12680-07-8
formula: C6H12N2S4
inchi: InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
notation: thirm
broader: CHEMONTID_0004791
iupac name: dimethylcarbamothioylsulfanyl dimethylaminomethanedithioate @en
inchikey: KUAZQDVKQLNFPE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CN(C)C(=S)SSC(=S)N(C)C
pubchem: 5455

claritromycine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: AGOYDEPGAOXOCK-KCBOHYOISA-N
cas number: 116836-41-0
cas number: 81103-11-9
notation: clartmcne
inchi: InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
broader: CHEMONTID_0000282
pubchem: 84029
iupac name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione @en
formula: C38H69NO13
in scheme: Conceptschema Chemische Stoffen

dipentylftalaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: IPKKHRVROFYTEK-UHFFFAOYSA-N
iupac name: dipentyl benzene-1,2-dicarboxylate @en
alternative label: di-n-pentylftalaat
pubchem: 8561
broader: CHEMONTID_0001350
cas number: 131-18-0
notation: DC5yFt
smiles: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
formula: C18H26O4

dodemorf
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 61898
cas number: 1593-77-7
cas number: 31717-87-0
smiles: CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O
formula: C20H39NO3
notation: dodmf
inchikey: YLJLLELGHSWIDU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)
broader: CHEMONTID_0001205
iupac name: acetic acid; 4-cyclododecyl-2,6-dimethylmorpholine @en

dimefuron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 91612
inchi: InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)
broader: CHEMONTID_0001099
inchikey: DHWRNDJOGMTCPB-UHFFFAOYSA-N
formula: C15H19ClN4O3
notation: Dmfrn
iupac name: 3-[4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-3-chlorophenyl]-1,1-dimethylurea @en
cas number: 34205-21-5
in scheme: Conceptschema Chemische Stoffen

acetylcedreen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: YBUIAJZFOGJGLJ-UHFFFAOYSA-N
cas number: 68039-35-0
cas number: 32388-55-9
cas number: 126239-49-4
iupac name: 1-(2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl)ethanone @en
formula: C17H26O
in scheme: Conceptschema Chemische Stoffen
smiles: CC1CCC2C13CC(C2(C)C)C(=C(C3)C(=O)C)C
broader: CHEMONTID_0003752
notation: ATCD
pubchem: 107065
inchi: InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3

benzo(k)fluorantheen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: HAXBIWFMXWRORI-UHFFFAOYSA-N
notation: BkF
broader: CHEMONTID_0000023
cas number: 207-08-9
formula: C20H12
inchi: InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H
iupac name: Benzo[k]fluoranthene @en
is referenced by: LUC VI 001
pubchem: 9158
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II (D2)

4-ethyl-1-octyn-3-ol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001334
iupac name: 4-Ethyloct-1-yn-3-ol @en
inchikey: CUUQUEAUUPYEKK-UHFFFAOYSA-N
cas number: 5877-42-9
inchi: InChI=1S/C10H18O/c1-4-7-8-9(5-2)10(11)6-3/h3,9-11H,4-5,7-8H2,1-2H3
notation: 4C2y1ot3ol
in scheme: Conceptschema Chemische Stoffen
pubchem: 93012
smiles: CCCCC(CC)C(C#C)O
formula: C10H18O

tetracycline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: T4ccne
formula: C22H24N2O8
pubchem: 5280962
broader: CHEMONTID_0000181
inchikey: JYHCQVWYCGHXGP-BPPSBWQWSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 60-54-8
iupac name: ['(2Z,4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione', '(4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione'] @en
inchi: InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,30-32H,7,23H2,1-3H3/b20-14-/t9-,10-,15-,21+,22-/m0/s1

fenthion-sulfoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 19577
broader: CHEMONTID_0004748
inchi: InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3
cas number: 3761-41-9
smiles: CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)C
iupac name: dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidenephosphorane @en
in scheme: Conceptschema Chemische Stoffen
formula: C10H15O4PS2
notation: fentoSO
inchikey: DLAPIMGBBDILHJ-UHFFFAOYSA-N

2,4-dibroomfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002769
smiles: C1=CC(=C(C=C1Br)Br)O
formula: C6H4Br2O
inchi: InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
inchikey: FAXWFCTVSHEODL-UHFFFAOYSA-N
iupac name: 2,4-Dibromophenol @en
pubchem: 12005
notation: 24DBrFol
cas number: 615-58-7

1-(3,4-dichloorfenyl)ureum
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002564
formula: C7H6Cl2N2O
smiles: C1=CC(=C(C=C1NC(=O)N)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
notation: 134DClFyurum
pubchem: 16854
inchikey: CYESCLHCWJKRKM-UHFFFAOYSA-N
cas number: 2327-02-8
inchi: InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)
iupac name: (3,4-DICHLOROPHENYL)UREA @en

2-chloor-1,1,1,2-tetrafluorethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 17822
cas number: 2837-89-0
smiles: C(C(F)(F)F)(F)Cl
notation: HCFK124
inchi: InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H
in scheme: Conceptschema Chemische Stoffen
formula: C2HClF4
iupac name: 2-CHLORO-1,1,1,2-TETRAFLUOROETHANE @en
inchikey: BOUGCJDAQLKBQH-UHFFFAOYSA-N
broader: CHEMONTID_0001517

acequinocyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: acqncl
inchi: InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3
pubchem: 93315
inchikey: QDRXWCAVUNHOGA-UHFFFAOYSA-N
cas number: 57960-19-7
cas number: 191490-28-5
iupac name: (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate @en
formula: C24H32O4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000153

amiodarone
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
notation: amodne
iupac name: (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone @en
pubchem: 2157
cas number: 1951-25-3
inchikey: IYIKLHRQXLHMJQ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C25H29I2NO3
broader: CHEMONTID_0004297

2-aminoanthrachinon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-aminoanthracene-9,10-dione @en
notation: 2Aoatcnn
inchikey: XOGPDSATLSAZEK-UHFFFAOYSA-N
formula: C14H9NO2
inchi: InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2
smiles: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N
cas number: 117-79-3
pubchem: 8341
broader: CHEMONTID_0003952

doxycycline hyclaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: doxccnhct
in scheme: Conceptschema Chemische Stoffen
inchikey: QDDHZFKCHWYXJF-PCLMCNLLSA-N
cas number: 24390-14-5
cas number: 62149-53-5
iupac name: (2E,4S,4aR,5S,5aR,6R,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; ethanol; hydrate; dihydrochloride @en
inchi: InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3;;;/h2*4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3;3H,2H2,1H3;2*1H;1H2/b2*21-13+;;;;/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1
pubchem: 5463942
formula: C46H58Cl2N4O18

verdyl acetaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 98478
cas number: 38621-99-7
cas number: 2500-83-6
broader: CHEMONTID_0001549
inchi: InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3
in scheme: Conceptschema Chemische Stoffen
smiles: CC(=O)OC1CC2CC1C3C2CC=C3
notation: DDPA
formula: C12H16O2
inchikey: BJLRAKFWOUAROE-UHFFFAOYSA-N
iupac name: 8-tricyclo[5.2.1.02,6]dec-4-enyl acetate @en

calareen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: calrn
iupac name: 1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene @en
inchi: InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3
inchikey: MBIPADCEHSKJDQ-UHFFFAOYSA-N
smiles: CC1CCC=C2C1(C3C(C3(C)C)CC2)C
broader: CHEMONTID_0003565
pubchem: 28481
cas number: 17334-55-3
in scheme: Conceptschema Chemische Stoffen
formula: C15H24

2,4-dinitrofenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O
iupac name: 2,4-Dinitrophenol @en
broader: CHEMONTID_0004505
inchikey: UFBJCMHMOXMLKC-UHFFFAOYSA-N
notation: 24DNO2Fol
cas number: 51-28-5
pubchem: 1493
formula: C6H4N2O5
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H

zwaveltrioxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR III (D3, diverse art) 'SO3'
comment: VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'
comment: VLAR II Art. 5.7.3.1 'zwaveltrioxide'
smiles: O=S(=O)=O
notation: SO3
formula: O3S
is referenced by: LUC III 008
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000554
inchikey: AKEJUJNQAAGONA-UHFFFAOYSA-N
inchi: InChI=1S/O3S/c1-4(2)3
pubchem: 24682
cas number: 7446-11-9
cas number: 12210-38-7
iupac name: SULFUR TRIOXIDE @en

isoforon-nitril
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 1,3,3-trimethyl-5-oxocyclohexane-1-carbonitrile @en
inchi: InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3
in scheme: Conceptschema Chemische Stoffen
cas number: 78948-79-5
cas number: 144975-27-9
cas number: 7027-11-4
pubchem: 99068
inchikey: JJDFVIDVSCYKDS-UHFFFAOYSA-N
broader: CHEMONTID_0003487
smiles: CC1(CC(=O)CC(C1)(C)C#N)C
notation: ifrntl
formula: C10H15NO

2-methoxy-2-methylbutaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3
formula: C6H14O
pubchem: 61247
broader: CHEMONTID_0001167
inchikey: HVZJRWJGKQPSFL-UHFFFAOYSA-N
cas number: 994-05-8
notation: 2C1ox2C1yC4a
in scheme: Conceptschema Chemische Stoffen
smiles: CCC(C)(C)OC
iupac name: 2-Methoxy-2-methylbutane @en

3-pentanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: Pentan-3-ol @en
smiles: CCC(CC)O
notation: 3C5ol
pubchem: 11428
inchikey: AQIXEPGDORPWBJ-UHFFFAOYSA-N
formula: C5H12O
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001661
cas number: 584-02-1
inchi: InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3

gadoteerzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: gadolinium(+3) cation; 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid @en
notation: gadtzr
broader: CHEMONTID_0002966
formula: C16H28GdN4O8+3
cas number: 72573-82-1
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3
inchikey: GFSTXYOTEVLASN-UHFFFAOYSA-N
pubchem: 3085828

4-butoxybutaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C8H16O3
pubchem: 41562
broader: CHEMONTID_0000333
smiles: CCCCOCCCC(=O)O
cas number: 55724-73-7
iupac name: 4-BUTOXYBUTANOIC ACID @en
inchikey: IZNAUZVEFQFMON-UHFFFAOYSA-N
inchi: InChI=1S/C8H16O3/c1-2-3-6-11-7-4-5-8(9)10/h2-7H2,1H3,(H,9,10)
notation: 4C4oxC4azr

trifenyltin (kation)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 668-34-8
alternative label: trifenyltin
smiles: C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3
broader: CHEMONTID_0002279
formula: C18H15Sn+
inchikey: XBRCDWHXULVEFB-UHFFFAOYSA-N
notation: TFySn
in scheme: Conceptschema Chemische Stoffen
iupac name: triphenylstannanylium @en
inchi: InChI=1S/3C6H5.Sn/c3*1-2-4-6-5-3-1;/h3*1-5H;/q;;;+1
pubchem: 91481

amberonne
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 54464-57-2
cas number: 166090-45-5
cas number: 239809-44-0
pubchem: 108242
iupac name: 1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone @en
inchikey: FVUGZKDGWGKCFE-UHFFFAOYSA-N
smiles: CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C
broader: CHEMONTID_0000118
notation: OTNE
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3
formula: C16H26O

tetradecaanzuur, tetradecylester
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003322
iupac name: Tetradecyl tetradecanoate @en
pubchem: 18605
smiles: CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
inchikey: DZKXJUASMGQEMA-UHFFFAOYSA-N
formula: C28H56O2
cas number: 3234-85-3
in scheme: Conceptschema Chemische Stoffen
notation: C14azrC14yEs
inchi: InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3

dibenzo(a,h)pyreen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: DBahP
formula: C24H14
cas number: 189-64-0
cas number: 58615-36-4
inchi: InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H
broader: CHEMONTID_0000316
iupac name: hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 9108
inchikey: RXUSYFJGDZFVND-UHFFFAOYSA-N

3-ethylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CCC1=CC(=CC=C1)O
in scheme: Conceptschema Chemische Stoffen
notation: 3C2yFol
pubchem: 12101
inchikey: HMNKTRSOROOSPP-UHFFFAOYSA-N
iupac name: 3-Ethylphenol @en
broader: CHEMONTID_0004647
inchi: InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
formula: C8H10O
cas number: 620-17-7

2-chloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: C1=CC=C(C=C1)C2=CC=CC=C2Cl
iupac name: 1-chloro-2-phenylbenzene @en
formula: C12H9Cl
inchi: InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
in scheme: Conceptschema Chemische Stoffen
inchikey: LAXBNTIAOJWAOP-UHFFFAOYSA-N
pubchem: 249266
notation: PCB1
cas number: 27323-18-8
cas number: 2051-60-7
broader: CHEMONTID_0000500

yttrium 88
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: VWQVUPCCIRVNHF-BJUDXGSMSA-N
smiles: [Y]
cas number: 13982-36-0
pubchem: 105173
formula: Y
iupac name: yttrium-88 @en
notation: Y88
inchi: InChI=1S/Y/i1-1
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen

tolclofos-methyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: tolcfsC1y
broader: CHEMONTID_0004748
smiles: CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl
inchi: InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3
pubchem: 91664
formula: C9H11Cl2O3PS
cas number: 78617-09-1
cas number: 57018-04-9
inchikey: OBZIQQJJIKNWNO-UHFFFAOYSA-N
iupac name: (2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidenephosphorane @en

dysprosium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/Dy
inchikey: KBQHZAAAGSGFKK-UHFFFAOYSA-N
cas number: 123943-90-8
cas number: 7429-91-6
cas number: 110123-47-2
alternative label: Dysprosium
pubchem: 23912
iupac name: DYSPROSIUM @en
broader: CHEMONTID_0000429
smiles: [Dy]
in scheme: Conceptschema Chemische Stoffen
formula: Dy
notation: Dy

1-deceen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
is referenced by: LUC IV 000
is referenced by: LUC IV 011
is referenced by: LUC IV 005
smiles: CCCCCCCCC=C
formula: C10H20
notation: 1C10e
pubchem: 13381
cas number: 108778-38-7
cas number: 25189-70-2
cas number: 872-05-9
cas number: 105054-87-3
cas number: 68037-01-4
inchikey: AFFLGGQVNFXPEV-UHFFFAOYSA-N
comment: VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'
inchi: InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3
broader: CHEMONTID_0004476
iupac name: Dec-1-ene @en
in scheme: Conceptschema Chemische Stoffen

metrafenon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C19H21BrO5
cas number: 220899-03-6
iupac name: (3-bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone @en
inchikey: AMSPWOYQQAWRRM-UHFFFAOYSA-N
notation: metfnn
inchi: InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3
broader: CHEMONTID_0000120
pubchem: 6451057

PCB 126
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 1,2,3-trichloro-5-(3,4-dichlorophenyl)benzene @en
broader: CHEMONTID_0003030
pubchem: 63090
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H
alternative label: pcb 126
alternative label: 3,3',4,4',5-pentachloorbifenyl (pcb126)
alternative label: 3,3',4,4',5-pentachloorbifenyl
comment: VLAR III (D3) 'dioxineachtige PCB's'
formula: C12H5Cl5
cas number: 57465-28-8
notation: PCB126
inchikey: REHONNLQRWTIFF-UHFFFAOYSA-N
is referenced by: LUC VI 002

chlooraceton
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: Clactn
pubchem: 6571
formula: C3H5ClO
smiles: CC(=O)CCl
inchikey: BULLHNJGPPOUOX-UHFFFAOYSA-N
broader: CHEMONTID_0004809
inchi: InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
iupac name: 1-chloropropan-2-one @en
in scheme: Conceptschema Chemische Stoffen
cas number: 78-95-5

N-methylperfluorbutaansulfonylamide azijnzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propanoic acid @en
inchikey: VDKPSKAXYKUKMK-UHFFFAOYSA-N
broader: CHEMONTID_0004314
formula: C7H6F9NO4S
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H6F9NO4S/c1-2(3(18)19)17-22(20,21)7(15,16)5(10,11)4(8,9)6(12,13)14/h2,17H,1H3,(H,18,19)
pubchem: 10642942
notation: MePFBSAA
cas number: 159381-10-9

yttrium 91
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: yttrium-91 @en
broader: CHEMONTID_0000426
inchikey: VWQVUPCCIRVNHF-NJFSPNSNSA-N
formula: Y
pubchem: 104964
smiles: [Y]
inchi: InChI=1S/Y/i1+2
notation: Y91
cas number: 14234-24-3

2,3,4-trimethylaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2,3,4-Trimethylaniline @en
pubchem: 73844
formula: C9H13N
smiles: CC1=C(C(=C(C=C1)N)C)C
notation: 234TC1yAn
in scheme: Conceptschema Chemische Stoffen
cas number: 1467-35-2
broader: CHEMONTID_0000284
inchikey: RLIPQCDHACHPJW-UHFFFAOYSA-N
inchi: InChI=1S/C9H13N/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,10H2,1-3H3

dazomet natriumzout
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: NDYULEPTCXJCJM-UHFFFAOYSA-N
inchi: InChI=1S/C5H9N2S2.Na/c1-6-3-7(2)5(8)9-4-6;/h4H,3H2,1-2H3;/q-1;+1
formula: C5H9N2NaS2
in scheme: Conceptschema Chemische Stoffen
iupac name: Sodium 3,5-dimethyl-1,3,5-thiadiazinane-2-thione @en
cas number: 53404-60-7
notation: dazmNazt
broader: CHEMONTID_0003094
smiles: CN1CN(C(=S)S[CH-]1)C.[Na+]
pubchem: 6399257

gentisinezuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 490-79-9
pubchem: 3469
formula: C7H6O4
inchi: InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001248
smiles: C1=CC(=C(C=C1O)C(=O)O)O
inchikey: WXTMDXOMEHJXQO-UHFFFAOYSA-N
notation: gentsnzr
iupac name: 2,5-Dihydroxybenzoic acid @en

dicofol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol @en
cas number: 115-32-2
inchi: InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
in scheme: Conceptschema Chemische Stoffen
pubchem: 8268
formula: C14H9Cl5O
notation: Dcfl
inchikey: UOAMTSKGCBMZTC-UHFFFAOYSA-N
alternative label: p,p’-dicofol
broader: CHEMONTID_0000369

2,3-butadion
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 650
cas number: 625-34-3
cas number: 431-03-8
cas number: 151677-70-2
inchikey: QSJXEFYPDANLFS-UHFFFAOYSA-N
formula: C4H6O2
notation: 23C4aDon
broader: CHEMONTID_0001223
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
iupac name: Butane-2,3-dione @en
smiles: CC(=O)C(=O)C

2,4,6-trimethylfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 246TC1yFol
inchi: InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001275
pubchem: 10698
iupac name: 2,4,6-TRIMETHYLPHENOL @en
smiles: CC1=CC(=C(C(=C1)C)O)C
cas number: 527-60-6
formula: C9H12O
inchikey: BPRYUXCVCCNUFE-UHFFFAOYSA-N

flamprop-m-isopropyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: flampMiC3y
inchi: InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3/t13-/m1/s1
pubchem: 94583
iupac name: propan-2-yl (2R)-2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate @en
cas number: 63782-90-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004713
formula: C19H19ClFNO3
inchikey: IKVXBIIHQGXQRQ-CYBMUJFWSA-N
alternative label: flamprop-M-isopropyl

dihexylftalaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001350
pubchem: 6786
formula: C20H30O4
smiles: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC
iupac name: dihexyl benzene-1,2-dicarboxylate @en
notation: DC6yFt
inchi: InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
alternative label: di-n-hexylftalaat
inchikey: KCXZNSGUUQJJTR-UHFFFAOYSA-N
cas number: 84-75-3
cas number: 68610-82-2

2,4-dichloorfenoxybutaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
alternative label: 2,4-dichloorfenoxyboterzuur
alternative label: (2,4-dichloorfenoxy)boterzuur (2,4-db)
notation: 24DB
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O
iupac name: 4-(2,4-Dichlorophenoxy)butanoic acid @en
inchi: InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
inchikey: YIVXMZJTEQBPQO-UHFFFAOYSA-N
pubchem: 1489
cas number: 94-82-6
formula: C10H10Cl2O3

tefluthrin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: teftn
formula: C17H14ClF7O2
inchikey: ZFHGXWPMULPQSE-WTKPLQERSA-N
inchi: InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-
cas number: 79538-32-2
cas number: 76437-51-9
cas number: 93907-48-3
pubchem: 5281874
broader: CHEMONTID_0001097
in scheme: Conceptschema Chemische Stoffen
iupac name: ['(2,3,5,6-tetrafluoro-4-methylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate', '(2,3,5,6-tetrafluoro-4-methylphenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate'] @en

dazomet
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: dazmt
broader: CHEMONTID_0003094
iupac name: 3,5-Dimethyl-1,3,5-thiadiazinane-2-thione @en
formula: C5H10N2S2
cas number: 533-74-4
cas number: 55146-10-6
inchikey: QAYICIQNSGETAS-UHFFFAOYSA-N
smiles: CN1CN(C(=S)SC1)C
pubchem: 10788
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3

1,2,3,4,7,8,9-heptachloordibenzofuraan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II+ bijlagen
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
inchikey: VEZCTZWLJYWARH-UHFFFAOYSA-N
alternative label: 1,2,3,4,7,8,9-heptachloordibenzofuran
alternative label: 1,2,3,4,7,8,9-heptachloordibenzofuraan (hpcdf)
cas number: 55673-89-7
notation: PCDF134
iupac name: 1,2,3,4,7,8,9-HEPTACHLORODIBENZOFURAN @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 41510
broader: CHEMONTID_0003029
formula: C12HCl7O
is referenced by: LUC VI 002
inchi: InChI=1S/C12HCl7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H

2-ethylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
broader: CHEMONTID_0004647
cas number: 25429-37-2
cas number: 90-00-6
smiles: CCC1=CC=CC=C1O
iupac name: 2-Ethylphenol @en
notation: 2C2yFol
formula: C8H10O
pubchem: 6997
inchikey: IXQGCWUGDFDQMF-UHFFFAOYSA-N

1,2-epoxyethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 12epOxC2yBen
iupac name: 2-Phenyloxirane @en
in scheme: Conceptschema Chemische Stoffen
cas number: 67253-49-0
cas number: 96-09-3
cas number: 62497-63-6
inchi: InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
smiles: C1C(O1)C2=CC=CC=C2
inchikey: AWMVMTVKBNGEAK-UHFFFAOYSA-N
formula: C8H8O
broader: CHEMONTID_0002279
pubchem: 7276

thiofanox-sulfoxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 5491759
inchi: InChI=1S/C9H18N2O3S/c1-9(2,3)7(6-15(5)13)11-14-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+
broader: CHEMONTID_0004752
smiles: CC(C)(C)C(=NOC(=O)NC)CS(=O)C
formula: C9H18N2O3S
notation: tofnSO
inchikey: NLMRMVVMKCKWFL-YRNVUSSQSA-N
cas number: 39184-27-5
in scheme: Conceptschema Chemische Stoffen
iupac name: [(Z)-(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] N-methylcarbamate @en

cefotaxime
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C16H16N5NaO7S2
inchikey: AZZMGZXNTDTSME-XJTDMATHSA-M
in scheme: Conceptschema Chemische Stoffen
pubchem: 9570740
cas number: 63527-52-6
broader: CHEMONTID_0001189
inchi: InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m0./s1
notation: ceftxme
iupac name: sodium (6S,7S)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en

foramsulfuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004705
iupac name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-3-formamido-N,N-dimethylbenzamide @en
cas number: 173159-57-4
inchi: InChI=1S/C17H20N6O7S/c1-23(2)15(25)10-6-5-7-11(18-9-24)14(10)31(27,28)22-17(26)21-16-19-12(29-3)8-13(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)
formula: C17H20N6O7S
pubchem: 213014
inchikey: HICJAEZEEBOKGV-UHFFFAOYSA-N
notation: forasfrn

oxytetracycline hydrochloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C22H25ClN2O9
in scheme: Conceptschema Chemische Stoffen
inchikey: IZRXCFCWDMSBQY-NXURVHCDSA-N
pubchem: 5284437
notation: OxT4ccnHCl
cas number: 2058-46-0
iupac name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride @en
inchi: InChI=1S/C22H24N2O9.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3;1H/b20-11-;/t12-,13-,14+,17+,21-,22+;/m1./s1

nonylfenoltetraethoxylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: XXSIKMDLPWYFIJ-UHFFFAOYSA-N
inchi: InChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-11-22-12-9-10-13-23(22)28-21-20-27-19-18-26-17-16-25-15-14-24/h9-10,12-13,24H,2-8,11,14-21H2,1H3
cas number: 27176-97-2
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCO
broader: CHEMONTID_0003338
pubchem: 176452
in scheme: Conceptschema Chemische Stoffen
formula: C23H40O5
notation: NPEO4

2-methylquinoline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Methylquinoline @en
inchi: InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
formula: C10H9N
notation: 2C1yqnlne
cas number: 91-63-4
cas number: 27601-00-9
broader: CHEMONTID_0001253
smiles: CC1=NC2=CC=CC=C2C=C1
inchikey: SMUQFGGVLNAIOZ-UHFFFAOYSA-N
pubchem: 7060

d-limoneen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC1=CCC(CC1)C(=C)C
notation: dlimnn
broader: CHEMONTID_0001401
cas number: 5989-27-5
inchi: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
in scheme: Conceptschema Chemische Stoffen
pubchem: 440917
inchikey: XMGQYMWWDOXHJM-JTQLQIEISA-N
iupac name: (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene @en
formula: C10H16

2,2',3,3',4,6,6'-heptachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C12H3Cl7
cas number: 52663-65-7
inchikey: HGMYRFJAJNYBRX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: PCB176
iupac name: 1,2,3,5-tetrachloro-4-(2,3,6-trichlorophenyl)benzene @en
inchi: InChI=1S/C12H3Cl7/c13-4-1-2-5(14)10(17)8(4)9-6(15)3-7(16)11(18)12(9)19/h1-3H
broader: CHEMONTID_0003030
pubchem: 63097

tris(tribroomneopentyl)fosfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0003460
pubchem: 3015044
iupac name: tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate @en
formula: C15H24Br9O4P
inchi: InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2
cas number: 19186-97-1
cas number: 134376-16-2
cas number: 36483-58-6
notation: trisTBrnoC5y
in scheme: Conceptschema Chemische Stoffen
inchikey: BHYQWBKCXBXPKM-UHFFFAOYSA-N

c.i. acid green 3
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C37H36N2O6S2.Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1
notation: ciagn3
alternative label: C.I. Acid Green 3
in scheme: Conceptschema Chemische Stoffen
inchikey: XKTMIJODWOEBKO-UHFFFAOYSA-M
broader: CHEMONTID_0004204
pubchem: 20803
formula: C37H35N2NaO6S2
cas number: 260057-95-2
cas number: 4680-78-8
smiles: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+]
iupac name: sodium 3-[[ethyl-[4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-1-cyclohexa-2,5-dienylidene]-phenylmethyl]phenyl]amino]methyl]benzenesulfonate @en

ceftiofur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001189
cas number: 80370-57-6
cas number: 104010-37-9
notation: ceftofr
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/b23-11-;/t12-,16-;/m1./s1
inchikey: RFLHUYUQCKHUKS-JUODUXDSSA-M
pubchem: 9571073
formula: C19H16N5NaO7S3
iupac name: sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en

plutonium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: PLUTONIUM @en
cas number: 7440-07-5
cas number: 22541-44-2
cas number: 22541-69-1
inchi: InChI=1S/Pu
formula: Pu
pubchem: 23940
in scheme: Conceptschema Chemische Stoffen
smiles: [Pu]
notation: Pu
broader: CHEMONTID_0000430
inchikey: OYEHPCDNVJXUIW-UHFFFAOYSA-N

n-propanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: C3ol
cas number: 62309-51-7
cas number: 71-23-8
alternative label: propanol
is referenced by: LUC IV 000
is referenced by: LUC IV 012
is referenced by: LUC IV 009
broader: CHEMONTID_0000286
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
smiles: CCCO
formula: C3H8O
in scheme: Conceptschema Chemische Stoffen
inchikey: BDERNNFJNOPAEC-UHFFFAOYSA-N
pubchem: 1031
iupac name: Propan-1-ol @en
inchi: InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3

vanadium 48
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: [V]
inchi: InChI=1S/V/i1-3
in scheme: Conceptschema Chemische Stoffen
formula: V
notation: V48
cas number: 14331-97-6
iupac name: vanadium-48 @en
inchikey: LEONUFNNVUYDNQ-OIOBTWANSA-N
pubchem: 161054
broader: CHEMONTID_0000426

butylhydroxytolueen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 42615-30-5
cas number: 102962-45-8
cas number: 950-56-1
cas number: 50641-99-1
cas number: 83047-16-9
cas number: 128-37-0
cas number: 58500-82-6
cas number: 52683-46-2
cas number: 97123-41-6
cas number: 50356-19-9
cas number: 53571-70-3
broader: CHEMONTID_0002811
smiles: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
inchi: InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
alternative label: butylhydroxytolueen (BHT)
pubchem: 31404
in scheme: Conceptschema Chemische Stoffen
formula: C15H24O
notation: BHT
inchikey: NLZUEZXRPGMBCV-UHFFFAOYSA-N
iupac name: 2,6-ditert-butyl-4-methylphenol @en

tolfenpyrad
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: tolfprd
iupac name: 4-chloro-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide @en
in scheme: Conceptschema Chemische Stoffen
formula: C21H22ClN3O2
inchi: InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)
inchikey: WPALTCMYPARVNV-UHFFFAOYSA-N
pubchem: 10110536
cas number: 129558-76-5
broader: CHEMONTID_0004155

telmisartan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C33H30N4O2
pubchem: 65999
notation: telmstn
cas number: 144701-48-4
broader: CHEMONTID_0000041
inchikey: RMMXLENWKUUMAY-UHFFFAOYSA-N
iupac name: 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid @en
inchi: InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
in scheme: Conceptschema Chemische Stoffen

2,3-dihydroindol-2-on
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-5,9-10H
notation: 23DHindl2on
cas number: 59-48-3
cas number: 16990-73-1
broader: CHEMONTID_0004162
smiles: C1=CC=C2C(=C1)C=C(N2)O
inchikey: JHFAEUICJHBVHB-UHFFFAOYSA-N
pubchem: 65531
in scheme: Conceptschema Chemische Stoffen
iupac name: 1H-Indol-2-ol @en
formula: C8H7NO

triflumuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 47445
formula: C15H10ClF3N2O3
notation: Tfmrn
inchikey: XAIPTRIXGHTTNT-UHFFFAOYSA-N
cas number: 64628-44-0
broader: CHEMONTID_0004513
in scheme: Conceptschema Chemische Stoffen

11‐chloroeicosafluoro‐3‐oxaundecane‐1‐sulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C10HClF20O4S/c11-7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)35-9(28,29)10(30,31)36(32,33)34/h(H,32,33,34)
formula: C10HClF20O4S
broader: CHEMONTID_0001179
inchikey: SZVGIJOITCPDPM-UHFFFAOYSA-N
cas number: 763051-92-9
pubchem: 15099039
iupac name: 2-(8-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctoxy)-1,1,2,2-tetrafluoroethanesulfonic acid @en
notation: 11Cl‐PF3OUnDS
in scheme: Conceptschema Chemische Stoffen

miconazol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: BYBLEWFAAKGYCD-UHFFFAOYSA-N
cas number: 75319-47-0
cas number: 22916-47-8
notation: micanzl
inchi: InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
iupac name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole @en
formula: C18H14Cl4N2O
in scheme: Conceptschema Chemische Stoffen
pubchem: 4189
broader: CHEMONTID_0002542

haloxyfop-ethoxyethyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: halOxfC2oxC2
inchikey: MIJLZGZLQLAQCM-UHFFFAOYSA-N
formula: C19H19ClF3NO5
pubchem: 91743
iupac name: 2-ethoxyethyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
broader: CHEMONTID_0004677
cas number: 126518-70-5
cas number: 87237-48-7
in scheme: Conceptschema Chemische Stoffen

spiramycine (I+II+III)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000282
inchi: InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26?,27?,28?,29+,30?,31-,32+,34?,35?,36?,37?,38?,39+,40+,41?,42?,43?/m1/s1
notation: spirmcne
pubchem: 6419898
iupac name: ['2-[(4R,5S,6S,7R,9R,10R,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde', '2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde'] @en
formula: C43H74N2O14
inchikey: ACTOXUHEUCPTEW-JMRHEKERSA-N
cas number: 8025-81-8
alternative label: spiramycine (i+ii+iii)

difenylmethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: DFyC1a
inchi: InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
formula: C13H12
broader: CHEMONTID_0000369
smiles: C1=CC=C(C=C1)CC2=CC=CC=C2
pubchem: 7580
cas number: 101-81-5
inchikey: CZZYITDELCSZES-UHFFFAOYSA-N
iupac name: phenylmethylbenzene @en
in scheme: Conceptschema Chemische Stoffen

1-(4-isopropylfenyl)ureum
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 14iC3yFyurum
iupac name: (4-propan-2-ylphenyl)urea @en
formula: C10H14N2O
inchikey: ABBKOIZWGCVCKE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001935
cas number: 56046-17-4
smiles: CC(C)C1=CC=C(C=C1)NC(=O)N
pubchem: 185831
inchi: InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)

broomtrifluormethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: CBrF3
cas number: 75-63-8
cas number: 62395-25-9
notation: halon1301
pubchem: 6384
smiles: C(F)(F)(F)Br
in scheme: Conceptschema Chemische Stoffen
iupac name: bromo-trifluoromethane @en
broader: CHEMONTID_0004157
inchi: InChI=1S/CBrF3/c2-1(3,4)5
inchikey: RJCQBQGAPKAMLL-UHFFFAOYSA-N

secbumeton
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: secbmtn
inchikey: ZJMZZNVGNSWOOM-UHFFFAOYSA-N
inchi: InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)
cas number: 26259-45-0
cas number: 38473-42-6
cas number: 11096-33-6
iupac name: N-butan-2-yl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine @en
smiles: CCC(C)NC1=NC(=NC(=N1)NCC)OC
broader: CHEMONTID_0004731
formula: C10H19N5O
pubchem: 33443
in scheme: Conceptschema Chemische Stoffen

2-acrylamido-2-methylpropaansulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 115137-50-3
cas number: 15214-89-8
cas number: 86848-82-0
cas number: 113996-54-6
cas number: 171063-24-4
cas number: 5165-97-9
cas number: 112666-19-0
cas number: 95243-13-3
cas number: 152634-06-5
cas number: 76701-57-0
cas number: 192388-82-2
cas number: 129701-88-8
inchikey: FWFUWXVFYKCSQA-UHFFFAOYSA-M
broader: CHEMONTID_0001179
smiles: CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[Na+]
pubchem: 3034154
in scheme: Conceptschema Chemische Stoffen
formula: C7H12NNaO4S
inchi: InChI=1S/C7H13NO4S.Na/c1-4-6(9)8-7(2,3)5-13(10,11)12;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);/q;+1/p-1
iupac name: sodium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate @en
notation: 2acamd2C1yC3

tridemorf
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,6-Dimethyl-4-tridecylmorpholine @en
inchikey: YTOPFCCWCSOHFV-UHFFFAOYSA-N
cas number: 24602-86-6
cas number: 81412-43-3
formula: C19H39NO
smiles: CCCCCCCCCCCCCN1CC(OC(C1)C)C
inchi: InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3
notation: Tdmf
broader: CHEMONTID_0000392
pubchem: 32518

(1-propylnonyl)-benzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3
smiles: CCCCCCCCC(CCC)C1=CC=CC=C1
iupac name: dodecan-4-ylbenzene @en
notation: 1C3yC9yBen
inchikey: RHDHXBLZBVAPTL-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 2719-64-4
formula: C18H30
pubchem: 17631
broader: CHEMONTID_0002279

dichloorazijnzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C(C(=O)O)(Cl)Cl
broader: CHEMONTID_0003000
cas number: 42428-47-7
cas number: 79-43-6
pubchem: 6597
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2-Dichloroacetic acid @en
formula: C2H2Cl2O2
notation: DClHAc
inchikey: JXTHNDFMNIQAHM-UHFFFAOYSA-N
inchi: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)

perfluor-3,5,7-trioxaoctaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 39492-89-2
broader: CHEMONTID_0003000
iupac name: 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-2,2-difluoroacetic acid @en
inchikey: SJKDXZGLKADOQD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 87185480
notation: PFO3OA
inchi: InChI=1S/C5HF9O5/c6-2(7,1(15)16)17-4(11,12)19-5(13,14)18-3(8,9)10/h(H,15,16)
formula: C5HF9O5

4-chloor-3-nitroaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 4-Chloro-3-nitroaniline @en
inchikey: FOHHWGVAOVDVLP-UHFFFAOYSA-N
cas number: 635-22-3
broader: CHEMONTID_0000036
smiles: C1=CC(=C(C=C1N)[N+](=O)[O-])Cl
formula: C6H5ClN2O2
inchi: InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
pubchem: 12477
notation: 4Cl3NO2An
in scheme: Conceptschema Chemische Stoffen

desmethyldiazepam
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
inchikey: AKPLHCDWDRPJGD-UHFFFAOYSA-N
cas number: 1088-11-5
notation: desC1yDazpm
pubchem: 2997
iupac name: 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004097
formula: C15H11ClN2O

fermium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000430
iupac name: FERMIUM @en
inchikey: MIORUQGGZCBUGO-UHFFFAOYSA-N
formula: Fm
cas number: 7440-72-4
in scheme: Conceptschema Chemische Stoffen
smiles: [Fm]
notation: Fm
inchi: InChI=1S/Fm
pubchem: 23998

indium 111
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 5462099
inchikey: APFVFJFRJDLVQX-AHCXROLUSA-N
notation: In111
iupac name: indium-111 @en
smiles: [In]
cas number: 15750-15-9
in scheme: Conceptschema Chemische Stoffen
formula: In
broader: CHEMONTID_0000427
inchi: InChI=1S/In/i1-4

dimethyl arseenzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
iupac name: Dimethylarsinic acid @en
smiles: C[As](=O)(C)O
notation: DC1yAszr
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004239
pubchem: 2513
cas number: 58114-73-1
cas number: 11126-73-1
cas number: 75-60-5
cas number: 917-76-0
cas number: 8073-10-7
alternative label: dimethylarseenzuur
formula: C2H7AsO2
inchikey: OGGXGZAMXPVRFZ-UHFFFAOYSA-N

cis-4,7,10,13,16,19-docosahexaeenzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: cC22aHxzr
iupac name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid @en
cas number: 6217-54-5
cas number: 25377-50-8
pubchem: 445580
formula: C22H32O2
smiles: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
inchikey: MBMBGCFOFBJSGT-KUBAVDMBSA-N
broader: CHEMONTID_0002950
in scheme: Conceptschema Chemische Stoffen

propyfenazon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one @en
inchikey: PXWLVJLKJGVOKE-UHFFFAOYSA-N
cas number: 88205-06-5
cas number: 128065-64-5
cas number: 12542-35-7
cas number: 479-92-5
inchi: InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
notation: propfnzn
formula: C14H18N2O
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002019
pubchem: 3778
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C

dirhenium trioxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: ASCDQPSSGQOUOI-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 159424
notation: DReTO
formula: O7Re2-14
inchi: InChI=1S/7O.2Re/q7*-2;;
smiles: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re]
broader: CHEMONTID_0001270
iupac name: oxygen(2-);rhenium @en
cas number: 12060-05-8

trifluraline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C13H16F3N3O4
cas number: 75635-23-3
cas number: 71281-30-6
cas number: 1582-09-8
cas number: 61373-95-3
cas number: 39300-53-3
cas number: 52627-52-8
smiles: CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
pubchem: 5569
alternative label: trifluralin
iupac name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline @en
inchikey: ZSDSQXJSNMTJDA-UHFFFAOYSA-N
broader: CHEMONTID_0003968
inchi: InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
notation: Tfrlne

C.I. Solvent Yellow 34
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: cisyw34
cas number: 492-80-8
cas number: 105913-60-8
broader: CHEMONTID_0000369
pubchem: 10298
inchikey: JPIYZTWMUGTEHX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-(4-dimethylaminobenzenecarboximidoyl)-N,N-dimethylaniline @en
inchi: InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3
formula: C17H21N3
alternative label: c.i. solvent yellow 34

ametryn
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: amtn
smiles: CCNC1=NC(=NC(=N1)SC)NC(C)C
inchikey: RQVYBGPQFYCBGX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 13263
iupac name: N'-ethyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
formula: C9H17N5S
broader: CHEMONTID_0004735
inchi: InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
cas number: 834-12-8

jodipamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 3-[[6-[(3-carboxy-2,4,6-triiodophenyl)amino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid @en
pubchem: 3739
broader: CHEMONTID_0004361
formula: C20H14I6N2O6
inchi: InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
notation: jodpAd
in scheme: Conceptschema Chemische Stoffen
inchikey: FFINMCNLQNTKLU-UHFFFAOYSA-N
cas number: 606-17-7

dimethyltetrasulfide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C2H6S4
inchikey: NPNIZCVKXVRCHF-UHFFFAOYSA-N
smiles: CSSSSC
broader: CHEMONTID_0003260
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3
cas number: 5756-24-1
cas number: 85931-55-1
pubchem: 79828
notation: DC1yT4S
iupac name: methyldisulfanyldisulfanylmethane @en

radium 223
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 15623-45-7
in scheme: Conceptschema Chemische Stoffen
iupac name: radium-223 @en
inchikey: HCWPIIXVSYCSAN-OIOBTWANSA-N
broader: CHEMONTID_0000428
pubchem: 6335825
smiles: [Ra]
inchi: InChI=1S/Ra/i1-3
formula: Ra
notation: Ra223

difenzoquat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: Dfzqt
smiles: CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3
inchikey: LBGPXIPGGRQBJW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 49866-87-7
formula: C17H17N2+
broader: CHEMONTID_0002019
inchi: InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1
iupac name: 1,2-dimethyl-3,5-di(phenyl)pyrazol-1-ium @en
pubchem: 39425

bis(2-chloorethoxy)methaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C(CCl)OCOCCCl
broader: CHEMONTID_0001656
cas number: 111-91-1
in scheme: Conceptschema Chemische Stoffen
formula: C5H10Cl2O2
iupac name: 1-chloro-2-(2-chloroethoxymethoxy)ethane @en
notation: bis2ClC2oxC1
pubchem: 8147
inchi: InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2
inchikey: NLXGURFLBLRZRO-UHFFFAOYSA-N

ureum
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: CH4N2O
cas number: 173144-80-4
cas number: 57-13-6
cas number: 174693-33-5
cas number: 30535-50-3
cas number: 37955-36-5
cas number: 173994-65-5
cas number: 175276-38-7
cas number: 4744-36-9
inchi: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
broader: CHEMONTID_0000517
inchikey: XSQUKJJJFZCRTK-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
is referenced by: WAC IV A 003
notation: urum
iupac name: UREA @en
pubchem: 1176
smiles: C(=O)(N)N

iprobenfos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: ipnfs
inchikey: FCOAHACKGGIURQ-UHFFFAOYSA-N
broader: CHEMONTID_0002279
formula: C13H21O3PS
inchi: InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
iupac name: di(propan-2-yloxy)phosphorylsulfanylmethylbenzene @en
cas number: 72779-52-3
cas number: 62601-78-9
cas number: 26087-47-8
smiles: CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1
pubchem: 33294
in scheme: Conceptschema Chemische Stoffen

hexabroombenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 87-82-1
broader: CHEMONTID_0001098
notation: HxBrBen
inchi: InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9
inchikey: CAYGQBVSOZLICD-UHFFFAOYSA-N
formula: C6Br6
iupac name: 1,2,3,4,5,6-hexabromobenzene @en
smiles: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
pubchem: 6905

jodium 126
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 161029
formula: HI
iupac name: Iodane-126 @en
inchikey: XMBWDFGMSWQBCA-BJUDXGSMSA-N
notation: I126
smiles: I
cas number: 14158-32-8
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000548
inchi: InChI=1S/HI/h1H/i1-1

natriummerthiolaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: sodium (2-carboxylatophenyl)sulfanyl-ethylmercury @en
cas number: 11004-81-2
cas number: 8030-32-8
cas number: 113170-85-7
cas number: 23065-35-2
cas number: 2141-27-7
cas number: 54-64-8
cas number: 25948-50-9
cas number: 77536-61-9
cas number: 130995-49-2
notation: Namtolt
broader: CHEMONTID_0003106
inchi: InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2
inchikey: RTKIYNMVFMVABJ-UHFFFAOYSA-L
in scheme: Conceptschema Chemische Stoffen
smiles: CC[Hg+].C1=CC=C(C(=C1)C(=O)[O-])[S-].[Na+]
formula: C9H9HgNaO2S
pubchem: 5908

1-(broommethyl)-2-methylbenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 28777-60-8
cas number: 89-92-9
notation: 1BrC1y2C1yBe
iupac name: 1-(Bromomethyl)-2-methylbenzene @en
pubchem: 6992
broader: CHEMONTID_0003979
smiles: CC1=CC=CC=C1CBr
inchikey: WGVYCXYGPNNUQA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C8H9Br
inchi: InChI=1S/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3

4,4'-diaminodifenylmethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000369
pubchem: 7577
iupac name: 4-[(4-aminophenyl)methyl]aniline @en
cas number: 101-77-9
cas number: 28602-61-1
cas number: 83712-44-1
notation: 44C1yeDAn
smiles: C1=CC(=CC=C1CC2=CC=C(C=C2)N)N
formula: C13H14N2
in scheme: Conceptschema Chemische Stoffen
alternative label: 4,4'-methyleendianiline
inchi: InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2
inchikey: YBRVSVVVWCFQMG-UHFFFAOYSA-N

jodium 129
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000548
inchikey: XMBWDFGMSWQBCA-NJFSPNSNSA-N
notation: I129
smiles: I
inchi: InChI=1S/HI/h1H/i1+2
formula: HI
cas number: 15046-84-1
iupac name: Iodane-129 @en
pubchem: 6433622

2,2',3,4,4',5-hexachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 35694-06-5
iupac name: 1,2,3,4-tetrachloro-5-(2,4-dichlorophenyl)benzene @en
pubchem: 37250
inchikey: CKLLRBPBZLTGDJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H4Cl6/c13-5-1-2-6(8(14)3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H
notation: PCB137
formula: C12H4Cl6
broader: CHEMONTID_0003030

mesotrion
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: KPUREKXXPHOJQT-UHFFFAOYSA-N
pubchem: 175967
notation: meston
in scheme: Conceptschema Chemische Stoffen
formula: C14H13NO7S
cas number: 435270-61-4
cas number: 104206-82-8
cas number: 207996-81-4
iupac name: 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione @en
broader: CHEMONTID_0004673
inchi: InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3

dicamba
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 62610-39-3
cas number: 1918-00-9
smiles: COC1=C(C=CC(=C1C(=O)O)Cl)Cl
formula: C8H6Cl2O3
in scheme: Conceptschema Chemische Stoffen
inchikey: IWEDIXLBFLAXBO-UHFFFAOYSA-N
notation: Dcba
pubchem: 3030
iupac name: 3,6-Dichloro-2-methoxybenzoic acid @en
broader: CHEMONTID_0002345
inchi: InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)

hexadecyltrimethylammonium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 79631-76-8
cas number: 69217-35-2
cas number: 108779-80-2
cas number: 12294-25-6
cas number: 6899-10-1
cas number: 57-09-0
cas number: 104302-76-3
iupac name: hexadecyl-trimethylazanium bromide @en
formula: C19H42BrN
inchi: InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
notation: CTAB
inchikey: LZZYPRNAOMGNLH-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
alternative label: cetyltrimethylammoniumbromide
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
pubchem: 5974

3,4-dichloortolueen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: 34DClTol
inchi: InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
iupac name: 1,2-dichloro-4-methylbenzene @en
formula: C7H6Cl2
pubchem: 7256
broader: CHEMONTID_0002564
inchikey: WYUIWKFIFOJVKW-UHFFFAOYSA-N
smiles: CC1=CC(=C(C=C1)Cl)Cl
cas number: 95-75-0

pyrazofos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0004623
cas number: 13457-18-6
in scheme: Conceptschema Chemische Stoffen
formula: C14H20N3O5PS
inchikey: JOOMJVFZQRQWKR-UHFFFAOYSA-N
iupac name: ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate @en
pubchem: 26033
notation: pyrazfs
inchi: InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3

maleinehydrazide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: C1=CC(=O)NNC1=O
cas number: 92335-53-0
cas number: 5425-79-6
cas number: 123-33-1
cas number: 10071-13-3
cas number: 48100-18-1
cas number: 220787-04-2
cas number: 66988-32-7
formula: C4H4N2O2
iupac name: 1,2-Dihydropyridazine-3,6-dione @en
broader: CHEMONTID_0000208
notation: malinhdzde
inchi: InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)
inchikey: BGRDGMRNKXEXQD-UHFFFAOYSA-N
pubchem: 21954
in scheme: Conceptschema Chemische Stoffen

1,1-dichloor-1,2,2,3,3-pentafluorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 1,1-DICHLORO-1,2,2,3,3-PENTAFLUOROPROPANE @en
pubchem: 61627
inchikey: JXMGZLBGSDLPKN-UHFFFAOYSA-N
broader: CHEMONTID_0001517
notation: HCFK225cc
in scheme: Conceptschema Chemische Stoffen
cas number: 13474-88-9
smiles: C(C(C(F)(Cl)Cl)(F)F)(F)F
formula: C3HCl2F5
inchi: InChI=1S/C3HCl2F5/c4-3(5,10)2(8,9)1(6)7/h1H

1-chloor-1,2,2-trifluoretheen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 58339-48-3
cas number: 8045-75-8
cas number: 56749-16-7
cas number: 27837-89-4
cas number: 105864-12-8
cas number: 39360-67-3
cas number: 58339-49-4
cas number: 50935-29-0
cas number: 52932-38-4
cas number: 39403-94-6
cas number: 57176-52-0
cas number: 79-38-9
cas number: 9002-83-9
cas number: 52683-04-2
cas number: 39475-51-9
cas number: 52350-38-6
cas number: 58339-57-4
cas number: 9036-80-0
cas number: 58339-65-4
cas number: 69494-42-4
cas number: 59889-02-0
cas number: 84842-77-3
pubchem: 6594
iupac name: 1-chloro-1,2,2-trifluoroethene @en
broader: CHEMONTID_0002861
smiles: C(=C(F)Cl)(F)F
inchi: InChI=1S/C2ClF3/c3-1(4)2(5)6
formula: C2ClF3
notation: CFK1113
inchikey: UUAGAQFQZIEFAH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

5-chloor-2-nitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000036
formula: C7H6ClNO2
inchi: InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
smiles: CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
iupac name: 4-chloro-2-methyl-1-nitrobenzene @en
cas number: 5367-28-2
inchikey: NSMZCUAVEOTJDS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 79329
notation: 5Cl2NO2Tol

propionaldehyde
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
alternative label: propanal
inchikey: NBBJYMSMWIIQGU-UHFFFAOYSA-N
inchi: InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
cas number: 123-38-6
pubchem: 527
comment: VLAREM II bijlage 4.4.2
in scheme: Conceptschema Chemische Stoffen
iupac name: propanal @en
formula: C3H6O
broader: CHEMONTID_0002434
smiles: CCC=O
notation: C3al

tritium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: UFHFLCQGNIYNRP-JMRXTUGHSA-N
pubchem: 24824
in scheme: Conceptschema Chemische Stoffen
cas number: 10028-17-8
notation: H3
inchi: InChI=1S/H2/h1H/i1+2T
smiles: [HH]
broader: CHEMONTID_0000552
iupac name: Tritium @en
formula: H2

methylprednisolon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 121673-01-6
cas number: 83-43-2
cas number: 570-35-4
formula: C22H30O5
notation: C1ypnsln
inchi: InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
inchikey: VHRSUDSXCMQTMA-PJHHCJLFSA-N
pubchem: 6741
iupac name: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one @en
broader: CHEMONTID_0003095

tetracosaanzuur, methylester
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 75546
iupac name: Methyl tetracosanoate @en
in scheme: Conceptschema Chemische Stoffen
notation: C24azrC1yEsr
smiles: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
cas number: 2442-49-1
inchikey: XUDJZDNUVZHSKZ-UHFFFAOYSA-N
formula: C25H50O2
broader: CHEMONTID_0003417

cadusafos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 95465-99-9
cas number: 103735-82-6
formula: C10H23O2PS2
smiles: CCC(C)SP(=O)(OCC)SC(C)CC
in scheme: Conceptschema Chemische Stoffen
pubchem: 91752
iupac name: 2-(butan-2-ylsulfanyl-ethoxyphosphoryl)sulfanylbutane @en
broader: CHEMONTID_0001438
notation: cadsfs
inchikey: KXRPCFINVWWFHQ-UHFFFAOYSA-N
inchi: InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3

budesonide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: VOVIALXJUBGFJZ-VXKMTNQYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 51333-22-3
cas number: 51372-29-3
notation: budsnde
broader: CHEMONTID_0003095
formula: C25H34O6
iupac name: (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one @en
inchi: InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1
pubchem: 40000

triclabendazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: Tcbdzl
cas number: 68786-66-3
broader: CHEMONTID_0002463
pubchem: 50248
inchikey: NQPDXQQQCQDHHW-UHFFFAOYSA-N
inchi: InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
in scheme: Conceptschema Chemische Stoffen
iupac name: 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole @en
formula: C14H9Cl3N2OS

cumeen hydroperoxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002811
smiles: CC(C)(C1=CC=CC=C1)OO
notation: cumHpO
in scheme: Conceptschema Chemische Stoffen
inchikey: YQHLDYVWEZKEOX-UHFFFAOYSA-N
inchi: InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
iupac name: 2-hydroperoxypropan-2-ylbenzene @en
cas number: 80-15-9
cas number: 79568-78-8
pubchem: 6629
formula: C9H12O2

2-chloor-5-methylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 12008
formula: C7H7ClO
inchikey: SMFHPCZZAAMJJO-UHFFFAOYSA-N
cas number: 68137-05-3
cas number: 615-74-7
cas number: 54548-50-4
inchi: InChI=1S/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
broader: CHEMONTID_0001273
notation: 2Cl5C1yFol
iupac name: 2-CHLORO-5-METHYLPHENOL @en
smiles: CC1=CC(=C(C=C1)Cl)O

framycetine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 11025-81-3
cas number: 119-04-0
cas number: 1393-86-8
pubchem: 8378
inchi: InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
iupac name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol @en
broader: CHEMONTID_0003573
formula: C23H46N6O13
inchikey: PGBHMTALBVVCIT-VCIWKGPPSA-N
in scheme: Conceptschema Chemische Stoffen
notation: framctne

isoprothiolan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 50512-35-1
inchi: InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3
iupac name: dipropan-2-yl 2-(1,3-dithiolan-2-ylidene)propanedioate @en
smiles: CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C
pubchem: 39681
notation: iptoln
in scheme: Conceptschema Chemische Stoffen
inchikey: UFHLMYOGRXOCSL-UHFFFAOYSA-N
broader: CHEMONTID_0000346
formula: C12H18O4S2

2,2',3,4,4'-pentachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 1,2,3-trichloro-4-(2,4-dichlorophenyl)benzene @en
inchi: InChI=1S/C12H5Cl5/c13-6-1-2-7(10(15)5-6)8-3-4-9(14)12(17)11(8)16/h1-5H
inchikey: LACXVZHAJMVESG-UHFFFAOYSA-N
notation: PCB85
formula: C12H5Cl5
cas number: 65510-45-4
pubchem: 47651
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030

1,2,3,4-tetrahydro-1,1,6-trimethylnafthaleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC1=CC2=C(C=C1)C(CCC2)(C)C
in scheme: Conceptschema Chemische Stoffen
iupac name: 4,4,7-trimethyl-2,3-dihydro-1H-naphthalene @en
inchi: InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3
notation: 1234T4H116TC
pubchem: 68057
formula: C13H18
broader: CHEMONTID_0000048
inchikey: LTMQZVLXCLQPCT-UHFFFAOYSA-N
cas number: 475-03-6

trifenylfosfineoxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: FIQMHBFVRAXMOP-UHFFFAOYSA-N
formula: C18H15OP
cas number: 791-28-6
cas number: 47027-44-1
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
iupac name: ['hydroxy-tri(phenyl)phosphanium', 'di(phenyl)phosphorylbenzene'] @en
notation: TPPO
broader: CHEMONTID_0001814
pubchem: 13097

sulfathiazole
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 158269-46-6
cas number: 6052-33-1
cas number: 72-14-0
pubchem: 5340
formula: C9H9N3O2S2
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide @en
smiles: C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2
broader: CHEMONTID_0001925
inchikey: JNMRHUJNCSQMMB-UHFFFAOYSA-N
inchi: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)

dihydrocholesterol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 3240
in scheme: Conceptschema Chemische Stoffen
inchikey: QYIXCDOBOSTCEI-UHFFFAOYSA-N
cas number: 80-97-7
cas number: 17608-41-2
cas number: 136173-96-1
notation: DHcEsrol
inchi: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3
formula: C27H48O
broader: CHEMONTID_0001469
iupac name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol @en

butoxypolypropyleenglycol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 59029-72-0
cas number: 12612-71-4
cas number: 220522-64-5
cas number: 29911-28-2
cas number: 158884-53-8
cas number: 39364-15-3
cas number: 9003-13-8
cas number: 71714-72-2
cas number: 83931-37-7
cas number: 36563-43-6
cas number: 30941-36-7
cas number: 102646-52-6
cas number: 9007-07-2
cas number: 57904-07-1
cas number: 37335-69-6
cas number: 9009-42-1
cas number: 39364-14-2
pubchem: 24752
iupac name: 1-(1-butoxypropan-2-yloxy)propan-2-ol @en
inchikey: CUVLMZNMSPJDON-UHFFFAOYSA-N
formula: C10H22O3
notation: C4OxplC3yegc
broader: CHEMONTID_0001661
inchi: InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3
smiles: CCCCOCC(C)OCC(C)O

difenoxuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: Dfnxrn
inchikey: AMVYOVYGIJXTQB-UHFFFAOYSA-N
broader: CHEMONTID_0004155
iupac name: 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea @en
formula: C16H18N2O3
inchi: InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)
cas number: 14214-32-5
in scheme: Conceptschema Chemische Stoffen
pubchem: 26576

glyceroldiacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 66021
notation: glycrDactt
formula: C7H12O5
smiles: CC(=O)OCC(CO)OC(=O)C
cas number: 25395-31-7
cas number: 102-62-5
cas number: 29860-16-0
cas number: 1300-63-6
cas number: 101364-64-1
inchi: InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3
iupac name: (1-acetyloxy-3-hydroxypropan-2-yl) acetate @en
broader: CHEMONTID_0001644
in scheme: Conceptschema Chemische Stoffen
inchikey: UXDDRFCJKNROTO-UHFFFAOYSA-N

1,3,3-trimethyloxindol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 20200-86-6
inchi: InChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13/h4-7H,1-3H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 30001
inchikey: RFJITKCIMOLCNP-UHFFFAOYSA-N
formula: C11H13NO
iupac name: 1,3,3-trimethylindol-2-one @en
broader: CHEMONTID_0000211
smiles: CC1(C2=CC=CC=C2N(C1=O)C)C
notation: 133TC1yoidl

4-ethoxyethylbenzoezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: 4C2oxC1ybenz
pubchem: 90232
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
cas number: 23676-09-7
formula: C11H14O3
inchikey: HRAQMGWTPNOILP-UHFFFAOYSA-N
broader: CHEMONTID_0001350
iupac name: Ethyl 4-ethoxybenzoate @en
smiles: CCOC1=CC=C(C=C1)C(=O)OCC

methazol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CN1C(=O)N(OC1=O)C2=CC(=C(C=C2)Cl)Cl
inchi: InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3
formula: C9H6Cl2N2O3
notation: metzl
broader: CHEMONTID_0002564
pubchem: 4690
iupac name: 2-(3,4-Dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione @en
cas number: 20354-26-1
inchikey: LRUUNMYPIBZBQH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

theobromine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: theobmne
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
cas number: 83-67-0
smiles: CN1C=NC2=C1C(=O)NC(=O)N2C
broader: CHEMONTID_0000247
formula: C7H8N4O2
pubchem: 5429
inchikey: YAPQBXQYLJRXSA-UHFFFAOYSA-N
iupac name: 3,7-dimethylpurine-2,6-dione @en

tetratetracontaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 7098-22-8
iupac name: TETRATETRACONTANE @en
pubchem: 23494
formula: C44H90
broader: CHEMONTID_0002500
notation: C44a
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchikey: KMXFZRSJMDYPPG-UHFFFAOYSA-N

1-(3-chloorfenyl)piperazine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: 13ClFypprzne
inchikey: VHFVKMTVMIZMIK-UHFFFAOYSA-N
inchi: InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
broader: CHEMONTID_0001984
iupac name: 1-(3-Chlorophenyl)piperazine @en
cas number: 6640-24-0
smiles: C1CN(CCN1)C2=CC(=CC=C2)Cl
alternative label: 1-(3-Chloorfenyl)piperazine
pubchem: 1355
formula: C10H13ClN2

o-benzidine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: C1=CC=C(C(=C1)C2=CC=CC=C2N)N
inchi: InChI=1S/C12H12N2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,13-14H2
pubchem: 15075
iupac name: 2-(2-aminophenyl)aniline @en
inchikey: HOLGXWDGCVTMTB-UHFFFAOYSA-N
formula: C12H12N2
broader: CHEMONTID_0000041
cas number: 1454-80-4
notation: obenzdne
in scheme: Conceptschema Chemische Stoffen

methanal (formaldehyde)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 53026-80-5
cas number: 8005-38-7
cas number: 8013-13-6
cas number: 50-00-0
cas number: 12795-06-1
cas number: 112068-71-0
cas number: 8006-07-3
cas number: 30525-89-4
comment: VLAR II (D5, diverse art)
comment: VLAR II bijl. 4.4.2
comment: VLAR III (D3, diverse art)
notation: parfAh
notation: C1al
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC III 004
alternative label: paraformaldehyde
alternative label: formaldehyde
inchikey: WSFSSNUMVMOOMR-UHFFFAOYSA-N
formula: CH2O
broader: CHEMONTID_0001831
inchi: InChI=1S/CH2O/c1-2/h1H2
smiles: C=O
iupac name: FORMALDEHYDE @en
pubchem: 712

zwaveldioxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: Sulfur dioxide @en
cas number: 83008-56-4
cas number: 7446-09-5
cas number: 89125-89-3
cas number: 12396-99-5
cas number: 12624-32-7
cas number: 8014-94-6
pubchem: 1119
is referenced by: CMA 2 III E
is referenced by: LUC III 008
inchi: InChI=1S/O2S/c1-3-2
smiles: O=S=O
formula: O2S
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000554
notation: SO2
inchikey: RAHZWNYVWXNFOC-UHFFFAOYSA-N

methyl dimethyldithiocarbamaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3735-92-0
inchikey: NBBZMDUHKWRYSZ-UHFFFAOYSA-N
inchi: InChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3
formula: C4H9NS2
in scheme: Conceptschema Chemische Stoffen
iupac name: methyl dimethylaminomethanedithioate @en
notation: C1yDC1yDtocb
pubchem: 19526
smiles: CN(C)C(=S)SC
broader: CHEMONTID_0003936

2,3,4,6,7-pentachloordibenzofuraan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: PCDF112
cas number: 57117-42-7
cas number: 57117-43-8
pubchem: 42139
inchikey: NZUPQBVDIWCPBX-UHFFFAOYSA-N
inchi: InChI=1S/C12H3Cl5O/c13-5-2-1-4-8-7(18-12(4)10(5)16)3-6(14)9(15)11(8)17/h1-3H
formula: C12H3Cl5O
broader: CHEMONTID_0003029
iupac name: 1,2,3,6,7-PENTACHLORODIBENZOFURAN @en

promethium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: Pm
pubchem: 23944
inchikey: VQMWBBYLQSCNPO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: Pm
iupac name: PROMETHIUM @en
cas number: 22541-16-8
cas number: 7440-12-2
broader: CHEMONTID_0000429
smiles: [Pm]
inchi: InChI=1S/Pm

sulpiride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: sulprde
broader: CHEMONTID_0000031
iupac name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide @en
inchi: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
inchikey: BGRJTUBHPOOWDU-UHFFFAOYSA-N
formula: C15H23N3O4S
pubchem: 5355
cas number: 23672-07-3
cas number: 15676-16-1

calciumsulfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 23296-15-3
cas number: 151621-69-1
cas number: 326855-67-8
cas number: 146522-67-0
cas number: 99400-01-8
cas number: 7778-18-9
inchi: InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
iupac name: CALCIUM SULFATE @en
inchikey: OSGAYBCDTDRGGQ-UHFFFAOYSA-L
in scheme: Conceptschema Chemische Stoffen
notation: CaSO4
formula: CaO4S
pubchem: 24497
broader: CHEMONTID_0000699
smiles: [O-]S(=O)(=O)[O-].[Ca+2]

broomoxynil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
alternative label: bromoxynil
cas number: 1689-84-5
inchi: InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
broader: CHEMONTID_0001530
iupac name: 3,5-Dibromo-4-hydroxybenzonitrile @en
in scheme: Conceptschema Chemische Stoffen
notation: BrOxnl
formula: C7H3Br2NO
inchikey: UPMXNNIRAGDFEH-UHFFFAOYSA-N
smiles: C1=C(C=C(C(=C1Br)O)Br)C#N
pubchem: 15531

1,2-epoxypropaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 75-56-9
cas number: 16033-71-9
alternative label: propyleenoxide
broader: CHEMONTID_0000159
comment: VLAREM II bijlage 4.4.2
notation: C3yeO
iupac name: 2-methyloxirane @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 6378
inchi: InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
inchikey: GOOHAUXETOMSMM-UHFFFAOYSA-N
smiles: CC1CO1
formula: C3H6O

2,3,3',4-tetrachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 74338-24-2
broader: CHEMONTID_0003030
formula: C12H6Cl4
notation: PCB55
inchikey: ZKGSEEWIVLAUNH-UHFFFAOYSA-N
inchi: InChI=1S/C12H6Cl4/c13-8-3-1-2-7(6-8)9-4-5-10(14)12(16)11(9)15/h1-6H
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3-trichloro-4-(3-chlorophenyl)benzene @en
pubchem: 63102

trans-9,12-octadecadieenzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCCCCC=CCC=CCCCCCCCC(=O)O
cas number: 506-21-8
cas number: 8024-22-4
cas number: 2197-37-7
cas number: 60-33-3
cas number: 80969-37-5
cas number: 17966-12-0
broader: CHEMONTID_0000504
pubchem: 5280450
notation: t912C18aDzr
notation: linzr
iupac name: (9Z,12Z)-octadeca-9,12-dienoic acid @en
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
in scheme: Conceptschema Chemische Stoffen
inchikey: OYHQOLUKZRVURQ-HZJYTTRNSA-N
alternative label: linolzuur

2,4-dimethylbenzaldehyde
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: GISVICWQYMUPJF-UHFFFAOYSA-N
iupac name: 2,4-Dimethylbenzaldehyde @en
formula: C9H10O
cas number: 15764-16-6
in scheme: Conceptschema Chemische Stoffen
notation: 24DC1yBenAh
inchi: InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3
smiles: CC1=CC(=C(C=C1)C=O)C
pubchem: 61814
broader: CHEMONTID_0000321

5-chloor-2-nitroaniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 74218
inchikey: ZCWXYZBQDNFULS-UHFFFAOYSA-N
inchi: InChI=1S/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2
notation: 5Cl2NO2An
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
cas number: 1635-61-6
formula: C6H5ClN2O2
iupac name: 5-Chloro-2-nitroaniline @en
smiles: C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]

spiramycine i
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 6440717
cas number: 13441-34-4
cas number: 50762-61-3
cas number: 13430-00-7
cas number: 67262-35-5
cas number: 24916-50-5
cas number: 1403-57-2
cas number: 2517-38-6
cas number: 1405-25-0
alternative label: spiramycine I
formula: C43H74N2O14
notation: spirmcI
iupac name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde @en
broader: CHEMONTID_0000282
inchi: InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1
in scheme: Conceptschema Chemische Stoffen
inchikey: ACTOXUHEUCPTEW-KWBWCIJSSA-N

pentaerythritoltetranitraat (petn)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
alternative label: pentaerythritoltetranitraat (PETN)
cas number: 103842-90-6
cas number: 53025-84-6
cas number: 108736-71-6
cas number: 78-11-5
inchi: InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2
formula: C5H8N4O12
in scheme: Conceptschema Chemische Stoffen
notation: PeerttT4NO3
broader: CHEMONTID_0004091
inchikey: TZRXHJWUDPFEEY-UHFFFAOYSA-N
smiles: C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-]
pubchem: 6518
iupac name: [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate @en

alanycarb
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 9576091
inchikey: GMAUQNJOSOMMHI-JXAWBTAJSA-N
notation: alncb
in scheme: Conceptschema Chemische Stoffen
iupac name: ethyl 3-[[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanyl-(phenylmethyl)amino]propanoate @en
cas number: 83130-01-2
inchi: InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-
broader: CHEMONTID_0002279
formula: C17H25N3O4S2

ceriumoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: dioxocerium @en
inchikey: CETPSERCERDGAM-UHFFFAOYSA-N
inchi: InChI=1S/Ce.2O
broader: CHEMONTID_0000542
cas number: 385781-69-1
cas number: 1306-38-3
smiles: O=[Ce]=O
notation: CeO2
formula: CeO2
pubchem: 73963
in scheme: Conceptschema Chemische Stoffen

desethylatrazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CC(C)NC1=NC(=NC(=N1)N)Cl
cas number: 6190-65-4
inchikey: DFWFIQKMSFGDCQ-UHFFFAOYSA-N
broader: CHEMONTID_0004734
pubchem: 22563
formula: C6H10ClN5
in scheme: Conceptschema Chemische Stoffen
notation: desC2yatzne
inchi: InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
iupac name: 6-chloro-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en

peryleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 198-55-0
cas number: 77392-71-3
broader: CHEMONTID_0000025
pubchem: 9142
in scheme: Conceptschema Chemische Stoffen
formula: C20H12
iupac name: Perylene @en
inchi: InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
inchikey: CSHWQDPOILHKBI-UHFFFAOYSA-N
notation: Pe

flurtamon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 96525-23-4
broader: CHEMONTID_0004551
pubchem: 91755
formula: C18H14F3NO2
inchikey: NYRMIJKDBAQCHC-UHFFFAOYSA-N
notation: flrtmn
inchi: InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3
iupac name: 5-methylamino-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one @en

tertiair-butylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
smiles: CC(C)(C)C1=CC=CC=C1
in scheme: Conceptschema Chemische Stoffen
cas number: 98-06-6
formula: C10H14
alternative label: tert-butylbenzeen
iupac name: tert-Butylbenzene @en
notation: ttC4yBen
broader: CHEMONTID_0002811
inchikey: YTZKOQUCBOVLHL-UHFFFAOYSA-N
pubchem: 7366

geëthoxyleerde isodecylalcohol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C12H26O2
cas number: 82376-08-7
cas number: 61827-42-7
inchikey: LHTCFGRXHNJRBP-UHFFFAOYSA-N
iupac name: 2-(8-methylnonoxy)ethanol @en
notation: geetxldiC10y
broader: CHEMONTID_0001167
inchi: InChI=1S/C12H26O2/c1-12(2)8-6-4-3-5-7-10-14-11-9-13/h12-13H,3-11H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 94600
smiles: CC(C)CCCCCCCOCCO

dibutyltin (kation)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 14488-53-0
notation: DC4ySn
pubchem: 26713
in scheme: Conceptschema Chemische Stoffen
inchikey: VVAQOYUUECXZAZ-UHFFFAOYSA-N
inchi: InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;/q2*-1;+2
iupac name: butane; tin(+2) cation @en
formula: C8H18Sn
smiles: CCC[CH2-].CCC[CH2-].[Sn+2]
broader: CHEMONTID_0003865

nikkel
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: Nickel @en
is referenced by: LUC I 002
is referenced by: LUC III 010
cas number: 195161-84-3
cas number: 39303-46-3
cas number: 68412-20-4
cas number: 53527-81-4
cas number: 17375-04-1
cas number: 21595-53-9
cas number: 7440-02-0
cas number: 14903-34-5
cas number: 112084-17-0
cas number: 8049-31-8
comment: VLAR bijl. 2.5.8.1 'Nikkel'
comment: VLAR II (D2/D5) 'nikkel'
comment: VLAR III (D3) 'Nikkel en de verbindingen daarvan, uitgedrukt als nikkel (Ni)'
comment: VLAR III (D3) 'Nikkel'
comment: VLAR II bijl. 4.4.2 'nikkel en zijn verbindingen, uitgedrukt in Ni'
comment: VLAR II (D5) 'nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)'
comment: VLAR III (D3, diverse art) 'Ni'
comment: VLAR II bijl. 4.4.2 nikkel (nikkelmetaal, nikkelsulfide en sulfidische ertsen, nikkeloxide en nikkelcarbonaat, nikkeltetracarbonyl), uitgedrukt in Ni'
formula: Ni
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000426
notation: Ni
definition: nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)
pubchem: 935
alternative label: Nikkel (Ni)
inchikey: PXHVJJICTQNCMI-UHFFFAOYSA-N
inchi: InChI=1S/Ni
smiles: [Ni]

isofenfos-oxon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphoryl]oxybenzoate @en
inchikey: DZUPKTNAUCDVTL-UHFFFAOYSA-N
pubchem: 35736
inchi: InChI=1S/C15H24NO5P/c1-6-19-22(18,16-11(2)3)21-14-10-8-7-9-13(14)15(17)20-12(4)5/h7-12H,6H2,1-5H3,(H,16,18)
cas number: 31120-85-1
broader: CHEMONTID_0001350
smiles: CCOP(=O)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C
notation: iffOon
formula: C15H24NO5P
in scheme: Conceptschema Chemische Stoffen

terbumeton
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: N-tert-butyl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine @en
formula: C10H19N5O
inchikey: BCQMBFHBDZVHKU-UHFFFAOYSA-N
broader: CHEMONTID_0004734
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
smiles: CCNC1=NC(=NC(=N1)OC)NC(C)(C)C
cas number: 33693-04-8
pubchem: 36584
notation: terbmtn

2,4-D chloorcrotyl-ester
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: C1=CC(=C(C=C1Cl)Cl)OCC(=O)OCC=CCCl
in scheme: Conceptschema Chemische Stoffen
notation: 24DClctEsr
pubchem: 6433355
inchikey: NEVMZYLKPFGDJB-OWOJBTEDSA-N
inchi: InChI=1S/C12H11Cl3O3/c13-5-1-2-6-17-12(16)8-18-11-4-3-9(14)7-10(11)15/h1-4,7H,5-6,8H2/b2-1+
formula: C12H11Cl3O3
alternative label: 2,4-d chloorcrotyl-ester
cas number: 2971-38-2
iupac name: [(E)-4-chlorobut-2-enyl] 2-(2,4-dichlorophenoxy)acetate @en
broader: CHEMONTID_0000417

doramectine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 6436133
notation: dormtne
iupac name: (1'R,2R,3S,4'S,6S,8'R,10'E,13'S,14'E,16'E,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one @en
inchikey: QLFZZSKTJWDQOS-NJPOTTGESA-N
broader: CHEMONTID_0000147
cas number: 117704-25-3
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44?,45-,46?,47+,49+,50+/m0/s1
formula: C50H74O14

1-chloor-2,4-dinitrobenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
inchikey: VYZAHLCBVHPDDF-UHFFFAOYSA-N
notation: 1Cl24DNO2Ben
broader: CHEMONTID_0000036
pubchem: 6
formula: C6H3ClN2O4
cas number: 97-00-7
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl
iupac name: 1-chloro-2,4-dinitrobenzene @en

ethiofencarb
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: HEZNVIYQEUHLNI-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 29973-13-5
cas number: 56730-58-6
cas number: 56729-20-5
pubchem: 34766
inchi: InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
iupac name: [2-(ethylsulfanylmethyl)phenyl] N-methylcarbamate @en
broader: CHEMONTID_0004640
formula: C11H15NO2S
smiles: CCSCC1=CC=CC=C1OC(=O)NC
notation: etofcb

clodinafop
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid @en
inchi: InChI=1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
formula: C14H11ClFNO4
broader: CHEMONTID_0004674
inchikey: YUIKUTLBPMDDNQ-MRVPVSSYSA-N
notation: clodnfp
cas number: 114420-56-3
in scheme: Conceptschema Chemische Stoffen
pubchem: 5483847

cyclopentadecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 295-48-7
inchi: InChI=1S/C15H30/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h1-15H2
iupac name: Cyclopentadecane @en
notation: cycC15a
inchikey: SRONXYPFSAKOGH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: C1CCCCCCCCCCCCCC1
formula: C15H30
pubchem: 67525
broader: CHEMONTID_0001016

pentanal (n-valeraldehyde)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0002434
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCC=O
inchikey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N
notation: C5al
pubchem: 8063
cas number: 110-62-3
inchi: InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
formula: C5H10O
iupac name: Pentanal @en

2-acetylfuran
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CC(=O)C1=CC=CO1
iupac name: 1-furan-2-ylethanone @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 14505
cas number: 1192-62-7
cas number: 80145-44-4
inchi: InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
broader: CHEMONTID_0003671
inchikey: IEMMBWWQXVXBEU-UHFFFAOYSA-N
formula: C6H6O2
notation: 2actfrn

4-tert-butylcyclohexanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 98-53-3
inchi: InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
formula: C10H18O
broader: CHEMONTID_0003487
inchikey: YKFKEYKJGVSEIX-UHFFFAOYSA-N
iupac name: 4-tert-butylcyclohexan-1-one @en
smiles: CC(C)(C)C1CCC(=O)CC1
in scheme: Conceptschema Chemische Stoffen
notation: 4ttC4yccC6on
pubchem: 7392

diquatdibromide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: DqBr
formula: C12H12Br2N2
iupac name: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide @en
smiles: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]
cas number: 85-00-7
cas number: 66630-68-0
cas number: 34417-68-0
inchikey: ODPOAESBSUKMHD-UHFFFAOYSA-L
inchi: InChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2
pubchem: 6794
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001764

n-nonaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
is referenced by: LUC IV 006
is referenced by: LUC IV 000
is referenced by: LUC IV 011
inchikey: BKIMMITUMNQMOS-UHFFFAOYSA-N
cas number: 61193-19-9
cas number: 111-84-2
pubchem: 8141
broader: CHEMONTID_0002500
formula: C9H20
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
alternative label: nonaan
iupac name: Nonane @en
inchi: InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
smiles: CCCCCCCCC
notation: C9a

3,4,5-trichloorfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 11859
inchikey: GBNHEBQXJVDXSW-UHFFFAOYSA-N
notation: 345TClFol
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,4,5-Trichlorophenol @en
broader: CHEMONTID_0002772
formula: C6H3Cl3O
cas number: 609-19-8
inchi: InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
smiles: C1=C(C=C(C(=C1Cl)Cl)Cl)O

2,2',3,4,5,5'-hexachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: UCLKLGIYGBLTSM-UHFFFAOYSA-N
cas number: 52112-04-6
cas number: 52712-04-6
inchi: InChI=1S/C12H4Cl6/c13-5-1-2-8(14)6(3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H
pubchem: 40234
broader: CHEMONTID_0003030
notation: PCB141
in scheme: Conceptschema Chemische Stoffen
formula: C12H4Cl6
iupac name: 1,2,3,4-tetrachloro-5-(2,5-dichlorophenyl)benzene @en

zwavel
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: NINIDFKCEFEMDL-UHFFFAOYSA-N
inchi: InChI=1S/S
in scheme: Conceptschema Chemische Stoffen
formula: S
cas number: 7704-34-9
pubchem: 5362487
iupac name: sulfur @en
smiles: CC(C)NC1=NC(=NC(=N1)SC)NC(C)C
notation: S
broader: CHEMONTID:0000555

methyl-4-broomacetoacetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 295655
notation: C1y4Bractact
inchikey: CZRWOPRGDPUSDE-UHFFFAOYSA-N
broader: CHEMONTID_0001114
cas number: 17790-81-7
formula: C5H7BrO3
inchi: InChI=1S/C5H7BrO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3
iupac name: Methyl 4-bromo-3-oxobutanoate @en
smiles: COC(=O)CC(=O)CBr

celestolide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 88401-65-4
cas number: 13171-00-1
smiles: CC(=O)C1=C2CCC(C2=CC(=C1)C(C)(C)C)(C)C
inchi: InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3
broader: CHEMONTID_0000027
pubchem: 61585
formula: C17H24O
in scheme: Conceptschema Chemische Stoffen
notation: ADBI
iupac name: 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone @en
inchikey: IKTHMQYJOWTSJO-UHFFFAOYSA-N

butylacrylaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0004452
cas number: 86090-89-3
cas number: 141-32-2
cas number: 220713-31-5
cas number: 164251-78-9
cas number: 56257-66-0
cas number: 81989-46-0
cas number: 62362-39-4
cas number: 9003-49-0
cas number: 71343-67-4
cas number: 126492-54-4
cas number: 112790-39-3
pubchem: 8846
formula: C7H12O2
iupac name: butyl prop-2-enoate @en
smiles: CCCCOC(=O)C=C
alternative label: n-butylacrylaat
inchi: InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
notation: C4yaclt
in scheme: Conceptschema Chemische Stoffen
inchikey: CQEYYJKEWSMYFG-UHFFFAOYSA-N

jodium 125
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 104800
broader: CHEMONTID_0000548
inchikey: XMBWDFGMSWQBCA-YPZZEJLDSA-N
inchi: InChI=1S/HI/h1H/i1-2
in scheme: Conceptschema Chemische Stoffen
cas number: 14158-31-7
smiles: I
formula: HI
notation: I125
iupac name: Iodane-125 @en

meta-xyleen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC1=CC(=CC=C1)C
inchi: InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
notation: 13xyln
is referenced by: LUC IV 011
is referenced by: LUC IV 001
is referenced by: LUC IV 000
broader: CHEMONTID_0004209
formula: C8H10
inchikey: IVSZLXZYQVIEFR-UHFFFAOYSA-N
iupac name: 1,3-Dimethylbenzene @en
alternative label: 1,3-Dimethylbenzeen
alternative label: 1,3-xyleen
alternative label: m-xyleen
comment: VLAR II bijl. 4.4.2 'xylenen'
in scheme: Conceptschema Chemische Stoffen
cas number: 108-38-3
pubchem: 7929

1,3-dihydroxypropaan-2-yl-octadecanoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
cas number: 621-61-4
formula: C21H42O4
inchikey: YQEMORVAKMFKLG-UHFFFAOYSA-N
iupac name: 1,3-dihydroxypropan-2-yl octadecanoate @en
notation: 13DHOxC3a2yC
broader: CHEMONTID_0001603
pubchem: 79075

acenafteen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000023
inchikey: CWRYPZZKDGJXCA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC VI 001
cas number: 83-32-9
inchi: InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
notation: AcNe
formula: C12H10
iupac name: Acenaphthene @en
smiles: C1CC2=CC=CC3=C2C1=CC=C3
pubchem: 6734

emamectin-benzoaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: GCKZANITAMOIAR-XWVCPFKXSA-N
inchi: InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1
notation: emmtbzat
formula: C56H81NO15
broader: CHEMONTID_0000282
iupac name: benzoic acid;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one @en
cas number: 155569-91-8
in scheme: Conceptschema Chemische Stoffen
pubchem: 11650986

propanolol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000023
inchi: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
cas number: 525-66-6
cas number: 13013-17-7
notation: propnll
pubchem: 4946
in scheme: Conceptschema Chemische Stoffen
inchikey: AQHHHDLHHXJYJD-UHFFFAOYSA-N
smiles: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
alternative label: propranolol
iupac name: 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol @en
formula: C16H21NO2

dodecyldimethylbenzylammoniumchloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: DDBAC
formula: C21H38ClN
cas number: 67377-59-7
cas number: 8038-88-8
cas number: 78565-22-7
cas number: 51796-11-3
cas number: 10328-35-5
cas number: 139-07-1
cas number: 95078-12-9
cas number: 107397-84-2
broader: CHEMONTID_0003977
smiles: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
pubchem: 8753
inchikey: JBIROUFYLSSYDX-UHFFFAOYSA-M
iupac name: benzyl-dodecyl-dimethylazanium chloride @en
inchi: InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1

tetradifon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: MLGCXEBRWGEOQX-UHFFFAOYSA-N
pubchem: 8305
formula: C12H6Cl4O2S
iupac name: 1,2,4-trichloro-5-(4-chlorophenyl)sulfonylbenzene @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004233
cas number: 116-29-0
notation: T4Dfn
inchi: InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H

hexaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68603-84-9
cas number: 13476-79-4
cas number: 67762-36-1
cas number: 53896-26-7
cas number: 16571-42-9
cas number: 19455-00-6
cas number: 8040-17-3
cas number: 142-62-1
cas number: 70248-25-8
cas number: 51109-46-7
pubchem: 8892
inchi: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
notation: C6azr
formula: C6H12O2
iupac name: Hexanoic acid @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003086
inchikey: FUZZWVXGSFPDMH-UHFFFAOYSA-N
smiles: CCCCCC(=O)O

dibenzo(a,l)pyreen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 189-55-9
notation: DBalP
broader: CHEMONTID_0000316
in scheme: Conceptschema Chemische Stoffen
pubchem: 9106
formula: C24H14
iupac name: hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18,20(24),21-dodecaene @en
inchikey: TUGYIJVAYAHHHM-UHFFFAOYSA-N
inchi: InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H

pirlimycine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002309
formula: C17H31ClN2O5S
inchikey: HBJOXQRURQPDEX-MHXMMLMNSA-N
pubchem: 157385
iupac name: (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethylpiperidine-2-carboxamide @en
cas number: 79548-73-5

n-pentaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002500
cas number: 68647-60-9
cas number: 8031-35-4
cas number: 68476-43-7
cas number: 109-66-0
cas number: 68475-60-5
cas number: 68476-55-1
cas number: 102056-77-9
smiles: CCCCC
alternative label: pentaan
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 006
in scheme: Conceptschema Chemische Stoffen
formula: C5H12
pubchem: 8003
notation: C5a
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
inchi: InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
inchikey: OFBQJSOFQDEBGM-UHFFFAOYSA-N
iupac name: Pentane @en

ketamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: ketAe
pubchem: 3821
in scheme: Conceptschema Chemische Stoffen
formula: C13H16ClNO
cas number: 33643-45-7
cas number: 6740-88-1
cas number: 79499-51-7
cas number: 100477-72-3
broader: CHEMONTID_0001099
inchikey: YQEZLKZALYSWHR-UHFFFAOYSA-N
inchi: InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
iupac name: 2-(2-chlorophenyl)-2-methylaminocyclohexan-1-one @en
smiles: CNC1(CCCCC1=O)C2=CC=CC=C2Cl

broomchloordifluormethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C(F)(F)(Cl)Br
cas number: 353-59-3
cas number: 11104-73-7
iupac name: bromo-chloro-difluoromethane @en
pubchem: 9625
broader: CHEMONTID_0004157
notation: halon1211
inchi: InChI=1S/CBrClF2/c2-1(3,4)5
in scheme: Conceptschema Chemische Stoffen
formula: CBrClF2
inchikey: MEXUFEQDCXZEON-UHFFFAOYSA-N

2,2',3,3',4,4',5,6-octachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 55722-26-4
cas number: 31472-83-0
cas number: 11064-17-8
cas number: 52663-78-2
formula: C12H2Cl8
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H2Cl8/c13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17/h1-2H
pubchem: 40485
inchikey: JAHJITLFJSDRCG-UHFFFAOYSA-N
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenyl)benzene @en
notation: PCB195

perfluorheptaansulfonzuur (pfhps)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonic acid @en
formula: C7HF15O3S
alternative label: perfluor-1-heptaansulfonzuur
alternative label: perfluor-n-heptaansulfonzuur (pfhps)
alternative label: perfluor-n-heptaansulfonzuur
broader: CHEMONTID_0003961
inchikey: OYGQVDSRYXATEL-UHFFFAOYSA-N
cas number: 375-92-8
in scheme: Conceptschema Chemische Stoffen
notation: PFHpS
notation: L_PFHpS
inchi: InChI=1S/C7HF15O3S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25/h(H,23,24,25)
pubchem: 67820

4-ethylfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: HXDOZKJGKXYMEW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: 4C2yFol
cas number: 24979-70-2
cas number: 123-07-9
cas number: 29471-88-3
cas number: 101052-19-1
broader: CHEMONTID_0004646
pubchem: 31242
inchi: InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
smiles: CCC1=CC=C(C=C1)O
iupac name: 4-Ethylphenol @en
formula: C8H10O

fluorglycofen-ethyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 77501-90-7
notation: fluogcfnC2y
in scheme: Conceptschema Chemische Stoffen
pubchem: 53672
broader: CHEMONTID_0004155
inchikey: IPPAUTOBDWNELX-UHFFFAOYSA-N
formula: C18H13ClF3NO7
iupac name: (2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate @en

2,4,8,10 tetraoxaspiro(5.5)undecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,4,8,10-Tetraoxaspiro[5.5]undecane @en
cas number: 126-54-5
formula: C7H12O4
pubchem: 78951
inchikey: BGCSUUSPRCDKBQ-UHFFFAOYSA-N
inchi: InChI=1S/C7H12O4/c1-7(2-9-5-8-1)3-10-6-11-4-7/h1-6H2
notation: 24810T4Oasr5
broader: CHEMONTID_0001314
smiles: C1C2(COCO1)COCOC2

bis(1,1,3,3-tetramethylbutyl) disulfide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C16H34S2/c1-13(2,3)11-15(7,8)17-18-16(9,10)12-14(4,5)6/h11-12H2,1-10H3
smiles: CC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)C
in scheme: Conceptschema Chemische Stoffen
inchikey: ZIMCZOLRXKPXLN-UHFFFAOYSA-N
cas number: 29956-99-8
formula: C16H34S2
broader: CHEMONTID_0004089
notation: bis1133T4C1y
iupac name: 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yldisulfanyl)pentane @en
pubchem: 121601

benzidine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 56481-94-8
cas number: 92-87-5
cas number: 46310-07-0
formula: C12H12N2
smiles: C1=CC(=CC=C1C2=CC=C(C=C2)N)N
inchikey: HFACYLZERDEVSX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2
broader: CHEMONTID_0003955
iupac name: 4-(4-aminophenyl)aniline @en
pubchem: 7111
notation: benzdne

acetofenon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
iupac name: 1-Phenylethanone @en
pubchem: 7410
in scheme: Conceptschema Chemische Stoffen
cas number: 98-86-2
broader: CHEMONTID_0004298
inchikey: KWOLFJPFCHCOCG-UHFFFAOYSA-N
smiles: CC(=O)C1=CC=CC=C1
formula: C8H8O
notation: actfnn

barbital
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: barbtl
iupac name: 5,5-diethyl-1,3-diazinane-2,4,6-trione @en
in scheme: Conceptschema Chemische Stoffen
cas number: 57-44-3
pubchem: 2294
inchi: InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
formula: C8H12N2O3
smiles: CCC1(C(=O)NC(=O)NC1=O)CC
broader: CHEMONTID_0000292
inchikey: FTOAOBMCPZCFFF-UHFFFAOYSA-N

radon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: [Rn]
notation: Rn
broader: CHEMONTID_0000433
iupac name: RADON @en
cas number: 10043-92-2
pubchem: 24857
inchi: InChI=1S/Rn
formula: Rn
inchikey: SYUHGPGVQRZVTB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

trifluorazijnzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: DTQVDTLACAAQTR-UHFFFAOYSA-N
smiles: C(=O)(C(F)(F)F)O
inchi: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
iupac name: 2,2,2-trifluoroacetic acid @en
formula: C2HF3O2
notation: TFHAc
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
pubchem: 6422
cas number: 76-05-1

1-(pentyloctyl)-benzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCCCCCCC(CCCCC)C1=CC=CC=C1
inchi: InChI=1S/C19H32/c1-3-5-7-8-11-15-18(14-10-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3
iupac name: tridecan-6-ylbenzene @en
broader: CHEMONTID_0002279
pubchem: 20632
in scheme: Conceptschema Chemische Stoffen
formula: C19H32
cas number: 4534-49-0
inchikey: OTSYFFDVDLHIKX-UHFFFAOYSA-N
notation: 1C5yC8yBen

1,1-dichloorethyleen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 39373-50-7
cas number: 9050-12-8
cas number: 120025-75-4
cas number: 9002-85-1
cas number: 56590-95-5
cas number: 25038-48-6
cas number: 37243-65-5
cas number: 75-35-4
cas number: 50861-72-8
cas number: 50926-92-6
is referenced by: LUC IV 000
is referenced by: LUC IV 011
is referenced by: LUC IV 002
alternative label: 1,1-dichlooretheen
alternative label: 1,1-dichloorethaan
smiles: C=C(Cl)Cl
iupac name: 1,1-Dichloroethene @en
pubchem: 6366
broader: CHEMONTID_0001168
notation: 11DClC2e
comment: VLAR II bijl. 4.4.2
formula: C2H2Cl2
inchikey: LGXVIGDEPROXKC-UHFFFAOYSA-N
inchi: InChI=1S/C2H2Cl2/c1-2(3)4/h1H2
in scheme: Conceptschema Chemische Stoffen

goud
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: PCHJSUWPFVWCPO-UHFFFAOYSA-N
iupac name: GOLD @en
cas number: 15456-07-2
cas number: 59597-42-1
cas number: 33019-35-1
cas number: 7440-57-5
in scheme: Conceptschema Chemische Stoffen
notation: Au
inchi: InChI=1S/Au
broader: CHEMONTID_0000426
pubchem: 23985
smiles: [Au]
formula: Au

hexazinon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 51235-04-2
iupac name: 3-cyclohexyl-6-dimethylamino-1-methyl-1,3,5-triazine-2,4-dione @en
inchi: InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
pubchem: 39965
smiles: CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C
notation: Hxznn
formula: C12H20N4O2
inchikey: CAWXEEYDBZRFPE-UHFFFAOYSA-N
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen

2,2',4,6-tetrachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C12H6Cl4/c13-7-5-10(15)12(11(16)6-7)8-3-1-2-4-9(8)14/h1-6H
notation: PCB50
pubchem: 44163
broader: CHEMONTID_0003030
smiles: C1=CC=C(C(=C1)C2=C(C=C(C=C2Cl)Cl)Cl)Cl
inchikey: VLLVVZDKBSYMCG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,3,5-trichloro-2-(2-chlorophenyl)benzene @en
formula: C12H6Cl4
cas number: 62796-65-0

gabapentine-lactam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000130
formula: C9H15NO
smiles: C1CCC2(CC1)CC(=O)NC2
inchikey: JAWPQJDOQPSNIQ-UHFFFAOYSA-N
iupac name: 2-azaspiro[4.5]decan-3-one @en
inchi: InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)
pubchem: 47457
in scheme: Conceptschema Chemische Stoffen
notation: gabptnltm
cas number: 64744-50-9

2-butanon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000118
is referenced by: LUC IV 000
is referenced by: LUC IV 012
is referenced by: LUC IV 007
inchi: InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
cas number: 135311-02-3
cas number: 78-93-3
alternative label: 2-butanon (MEK)
comment: VLAR II bijl. 4.4.2 'butanon'
inchikey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C4H8O
smiles: CCC(=O)C
notation: 2C4on
iupac name: butan-2-one @en
pubchem: 6569

1-nitronaftaleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
inchikey: RJKGJBPXVHTNJL-UHFFFAOYSA-N
pubchem: 6849
notation: 1NO2Naf
smiles: C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-]
broader: CHEMONTID_0002275
formula: C10H7NO2
cas number: 86-57-7
cas number: 27254-36-0
in scheme: Conceptschema Chemische Stoffen
iupac name: ['1-Nitronaphthalene', 'N,N-dihydroxynaphthalen-1-amine'] @en

aminotrimethyleen fosfonzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 6419-19-8
cas number: 40588-62-3
cas number: 27794-93-0
iupac name: hexapotassium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine @en
broader: CHEMONTID_0001302
notation: AoTC1yePA
formula: C3H6K6NO9P3
inchikey: DKPHLYCEFBDQKM-UHFFFAOYSA-H
inchi: InChI=1S/C3H12NO9P3.6K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;;/q;6*+1/p-6
pubchem: 161581
smiles: C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+]
in scheme: Conceptschema Chemische Stoffen

beflubutamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 6451159
notation: befbtAd
iupac name: 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(phenylmethyl)butanamide @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004551
inchi: InChI=1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24)
formula: C18H17F4NO2
cas number: 113614-08-7
inchikey: FFQPZWRNXKPNPX-UHFFFAOYSA-N

radium 224
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: Ra224
broader: CHEMONTID_0000428
cas number: 13233-32-4
formula: Ra
iupac name: radium-224 @en
smiles: [Ra]
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Ra/i1-2
pubchem: 6328538
inchikey: HCWPIIXVSYCSAN-YPZZEJLDSA-N

octadecanamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 37189-35-8
cas number: 124-26-5
in scheme: Conceptschema Chemische Stoffen
notation: C18aAd
inchi: InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)
smiles: CCCCCCCCCCCCCCCCCC(=O)N
broader: CHEMONTID_0002484
inchikey: LYRFLYHAGKPMFH-UHFFFAOYSA-N
pubchem: 31292
formula: C18H37NO
iupac name: Octadecanamide @en

1-hydroxypyreen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: BIJNHUAPTJVVNQ-UHFFFAOYSA-N
smiles: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O
in scheme: Conceptschema Chemische Stoffen
cas number: 63021-84-1
cas number: 5315-79-7
inchi: InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H
iupac name: Pyren-1-ol @en
formula: C16H10O
broader: CHEMONTID_0001851
pubchem: 21387
notation: 1HOxPyr

2-fenylacetamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: LSBDFXRDZJMBSC-UHFFFAOYSA-N
iupac name: 2-Phenylacetamide @en
smiles: C1=CC=C(C=C1)CC(=O)N
formula: C8H9NO
cas number: 4463-20-1
cas number: 103-81-1
in scheme: Conceptschema Chemische Stoffen
notation: 2FyacAd
broader: CHEMONTID_0002363
pubchem: 7680
inchi: InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)

boterzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: butanoic acid @en
inchi: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
pubchem: 264
notation: botzr
broader: CHEMONTID_0000333
inchikey: FERIUCNNQQJTOY-UHFFFAOYSA-N
formula: C4H8O2
smiles: CCCC(=O)O
cas number: 107-92-6

1,2,4,5-tetrachloorbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0001099
iupac name: 1,2,4,5-Tetrachlorobenzene @en
notation: 1245T4ClBen
notation: T4ClBen
cas number: 63697-22-3
cas number: 95-94-3
cas number: 12408-10-5
alternative label: tetrachloorbenzeen
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
smiles: C1=C(C(=CC(=C1Cl)Cl)Cl)Cl
inchikey: JHBKHLUZVFWLAG-UHFFFAOYSA-N
formula: C6H2Cl4
pubchem: 7270

nodularin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: nodlrn
iupac name: (2E)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid @en
cas number: 118399-22-7
broader: CHEMONTID_0004831
formula: C41H60N8O10
in scheme: Conceptschema Chemische Stoffen
inchikey: IXBQSRWSVIBXNC-ANPQUZCZSA-N
pubchem: 6437077
inchi: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8+

4-methyl-2-nitroaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000036
inchikey: DLURHXYXQYMPLT-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC(=C(C=C1)N)[N+](=O)[O-]
pubchem: 6978
notation: 4C1y2NO2An
iupac name: 4-Methyl-2-nitroaniline @en
formula: C7H8N2O2
cas number: 89-62-3
inchi: InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3

rhodium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: Rh
smiles: [Rh]
in scheme: Conceptschema Chemische Stoffen
cas number: 24546-24-5
cas number: 100041-37-0
cas number: 7440-16-6
inchi: InChI=1S/Rh
pubchem: 23948
iupac name: RHODIUM @en
inchikey: MHOVAHRLVXNVSD-UHFFFAOYSA-N
notation: Rh
broader: CHEMONTID_0000426

triamifos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)
cas number: 1031-47-6
in scheme: Conceptschema Chemische Stoffen
notation: Tamfs
formula: C12H19N6OP
inchikey: BABJTMNVJXLAEX-UHFFFAOYSA-N
pubchem: 13943
broader: CHEMONTID_0003314
iupac name: 2-bis(dimethylamino)phosphoryl-5-phenyl-1,2,4-triazol-3-amine @en

perfluoroctaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: PFOA
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid @en
inchi: InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)
cas number: 65618-66-8
cas number: 335-67-1
cas number: 33496-48-9
inchikey: SNGREZUHAYWORS-UHFFFAOYSA-N
formula: C8HF15O2
alternative label: perfluoroctaanzuur (pfoa)
alternative label: perfluor-n-octaanzuur
broader: CHEMONTID_0003962
pubchem: 9554

eugenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: RRAFCDWBNXTKKO-UHFFFAOYSA-N
iupac name: 2-Methoxy-4-prop-2-enylphenol @en
broader: CHEMONTID_0000190
inchi: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
in scheme: Conceptschema Chemische Stoffen
cas number: 97-53-0
smiles: COC1=C(C=CC(=C1)CC=C)O
pubchem: 3314
notation: eugnl
formula: C10H12O2

azelastine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 54360
iupac name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one hydrochloride @en
inchikey: YEJAJYAHJQIWNU-UHFFFAOYSA-N
formula: C22H25Cl2N3O
cas number: 79307-93-0
cas number: 37932-96-0
cas number: 58581-89-8
broader: CHEMONTID_0000209
inchi: InChI=1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H
notation: azltne
in scheme: Conceptschema Chemische Stoffen

perfluorhexadecaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C16HF31O2/c17-2(18,1(48)49)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h(H,48,49)
broader: CHEMONTID_0002949
alternative label: perfluor-n-hexadecaanzuur (pfhxda)
alternative label: perfluorhexadecaanzuur (pfhxda)
alternative label: perfluor-n-hexadecaanzuur
pubchem: 106027
notation: PFHxDA
notation: PFC16azr
cas number: 67905-19-5
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluorohexadecanoic acid @en
formula: C16HF31O2
inchikey: OJMBMWRMTMHMSZ-UHFFFAOYSA-N

rabeprazol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole @en
formula: C18H21N3O3S
inchi: InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
broader: CHEMONTID_0001891
pubchem: 5029
cas number: 117976-89-3
inchikey: YREYEVIYCVEVJK-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

clobetasolpropionaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: CBGUOGMQLZIXBE-XGQKBEPLSA-N
iupac name: [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate @en
notation: clobtsppont
formula: C25H32ClFO5
inchi: InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
broader: CHEMONTID_0001468
cas number: 25122-46-7
in scheme: Conceptschema Chemische Stoffen
pubchem: 32798

butanal
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
formula: C4H8O
broader: CHEMONTID_0002434
inchi: InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
iupac name: BUTANAL @en
notation: C4al
alternative label: butyraldehyde
smiles: CCCC=O
cas number: 123-72-8
inchikey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 261

cis-permetryn
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 57608-04-5
cas number: 61949-76-6
cas number: 93388-66-0
cas number: 63364-00-1
cas number: 75497-64-2
cas number: 54774-45-7
cas number: 52645-53-1
cas number: 60018-94-2
notation: cpermtn
notation: permtn
in scheme: Conceptschema Chemische Stoffen
alternative label: permethrin
alternative label: cis-permethrin
inchi: InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1
broader: CHEMONTID_0001461
pubchem: 40463
iupac name: [3-(phenoxy)phenyl]methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
formula: C21H20Cl2O3
inchikey: RLLPVAHGXHCWKJ-HKUYNNGSSA-N

trans-1,4-dichloor-2-buteen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
broader: CHEMONTID_0001516
alternative label: 1,4-dichloor-2-buteen
iupac name: ['1,4-Dichlorobut-2-ene', '(E)-1,4-dichlorobut-2-ene'] @en
inchikey: FQDIANVAWVHZIR-OWOJBTEDSA-N
cas number: 110-57-6
cas number: 764-41-0
notation: 14DCl2C4e
notation: t14DCl2C4e
in scheme: Conceptschema Chemische Stoffen
formula: C4H6Cl2
pubchem: 642197
smiles: C(C=CCCl)Cl

N-propylaniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CCCNC1=CC=CC=C1
in scheme: Conceptschema Chemische Stoffen
inchikey: CDZOGLJOFWFVOZ-UHFFFAOYSA-N
pubchem: 12153
notation: NC3yAn
formula: C9H13N
cas number: 622-80-0
inchi: InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
iupac name: N-PROPYLANILINE @en
broader: CHEMONTID_0003924
alternative label: n-propylaniline

methyleenbisthiocyanaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0002132
notation: C1yebtoCN
pubchem: 22772
inchikey: JWZXKXIUSSIAMR-UHFFFAOYSA-N
smiles: C(SC#N)SC#N
formula: C3H2N2S2
iupac name: dithiocyanatomethane @en
cas number: 6317-18-6
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2

2-chlooraceetamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 2ClacAd
iupac name: 2-Chloroacetamide @en
in scheme: Conceptschema Chemische Stoffen
inchikey: VXIVSQZSERGHQP-UHFFFAOYSA-N
pubchem: 6580
broader: CHEMONTID_0004527
inchi: InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
smiles: C(C(=O)N)Cl
cas number: 79-07-2
formula: C2H4ClNO

fosfine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: H3P
cas number: 7803-51-2
cas number: 29879-37-6
cas number: 167076-44-0
smiles: P
pubchem: 24404
notation: fosfne
iupac name: ['phosphane', '$l^{1}-phosphane'] @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000434
inchikey: XYFCBTPGUUZFHI-UHFFFAOYSA-N
inchi: InChI=1S/H3P/h1H3
comment: VLAREM II bijlage 4.4.2
comment: VLAR III (D3) 'fosforwaterstof'
alternative label: fosforwaterstof of fosfine of fosfaan?

vinylacetaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
cas number: 61891-42-7
cas number: 82041-23-4
cas number: 85306-26-9
cas number: 220713-36-0
cas number: 108-05-4
iupac name: Ethenyl acetate @en
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 004
inchikey: XTXRWKRVRITETP-UHFFFAOYSA-N
formula: C4H6O2
notation: vinactt
smiles: CC(=O)OC=C
broader: CHEMONTID_0002354
pubchem: 7904
comment: VLAR II bijl. 4.4.2

propoxur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CC(C)OC1=CC=CC=C1OC(=O)NC
inchi: InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
notation: propxr
formula: C11H15NO3
iupac name: (2-propan-2-yloxyphenyl) N-methylcarbamate @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002341
cas number: 114-26-1
pubchem: 4944
inchikey: ISRUGXGCCGIOQO-UHFFFAOYSA-N

glycerine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: glycrne
cas number: 75398-78-6
cas number: 25618-55-7
cas number: 8013-25-0
cas number: 37228-54-9
cas number: 30049-52-6
cas number: 78630-16-7
cas number: 64333-26-2
cas number: 8043-29-6
cas number: 56-81-5
cas number: 29796-42-7
cas number: 175385-78-1
formula: C3H8O3
smiles: C(C(CO)O)O
inchikey: PEDCQBHIVMGVHV-UHFFFAOYSA-N
broader: CHEMONTID_0002210
iupac name: PROPANE-1,2,3-TRIOL @en
pubchem: 753
inchi: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2

2,5-dichlooraniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 7262
inchikey: AVYGCQXNNJPXSS-UHFFFAOYSA-N
inchi: InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
smiles: C1=CC(=C(C=C1Cl)N)Cl
iupac name: 2,5-Dichloroaniline @en
in scheme: Conceptschema Chemische Stoffen
cas number: 95-82-9
notation: 25DClAn
broader: CHEMONTID_0002564
formula: C6H5Cl2N

2,3,3',4,4',5,6-heptachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: TYEDCFVCFDKSBK-UHFFFAOYSA-N
iupac name: 1,2,3,4,5-pentachloro-6-(3,4-dichlorophenyl)benzene @en
pubchem: 38857
in scheme: Conceptschema Chemische Stoffen
cas number: 41411-64-7
broader: CHEMONTID_0003030
notation: PCB190
inchi: InChI=1S/C12H3Cl7/c13-5-2-1-4(3-6(5)14)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H
formula: C12H3Cl7

pentachloorethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C2HCl5
iupac name: 1,1,1,2,2-pentachloroethane @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 6419
inchikey: BNIXVQGCZULYKV-UHFFFAOYSA-N
inchi: InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H
smiles: C(C(Cl)(Cl)Cl)(Cl)Cl
cas number: 76-01-7
notation: PeClC2a
broader: CHEMONTID_0001516

dichloordifluormethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: dichloordifluormethaan (cfk12)
cas number: 185009-39-6
cas number: 75-71-8
cas number: 62185-71-1
broader: CHEMONTID_0004521
smiles: C(F)(F)(Cl)Cl
inchi: InChI=1S/CCl2F2/c2-1(3,4)5
pubchem: 6391
iupac name: dichloro-difluoromethane @en
in scheme: Conceptschema Chemische Stoffen
formula: CCl2F2
inchikey: PXBRQCKWGAHEHS-UHFFFAOYSA-N
comment: VLAREM II bijlage 4.4.2
notation: CFK12

promethazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: PWWVAXIEGOYWEE-UHFFFAOYSA-N
pubchem: 4927
cas number: 73745-50-3
cas number: 38878-40-9
cas number: 60-87-7
inchi: InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
broader: CHEMONTID_0000310
smiles: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C
notation: promtzne
iupac name: N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine @en
formula: C17H20N2S
in scheme: Conceptschema Chemische Stoffen

sucralose
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: BAQAVOSOZGMPRM-QBMZZYIRSA-N
broader: CHEMONTID_0002204
inchi: InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1
cas number: 56038-13-2
iupac name: (2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol @en
formula: C12H19Cl3O8
notation: suclse
in scheme: Conceptschema Chemische Stoffen
pubchem: 71485

bis(2-ethylhexyl)adipaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000324
pubchem: 7641
iupac name: Bis(2-ethylhexyl) hexanedioate @en
smiles: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
in scheme: Conceptschema Chemische Stoffen
cas number: 103-23-1
cas number: 39393-67-4
cas number: 63637-48-9
cas number: 70147-21-6
formula: C22H42O4
notation: BISADPT
inchikey: SAOKZLXYCUGLFA-UHFFFAOYSA-N
inchi: InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3

N-cyclohexylacetamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
alternative label: n-cyclohexylacetamide
iupac name: N-Cyclohexylacetamide @en
notation: NccC6yacAd
inchi: InChI=1S/C8H15NO/c1-7(10)9-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,9,10)
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003922
smiles: CC(=O)NC1CCCCC1
cas number: 1124-53-4
formula: C8H15NO
pubchem: 14301
inchikey: WRAGCBBWIYQMRF-UHFFFAOYSA-N

norcocaine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: norccine
inchi: InChI=1S/C16H19NO4.ClH/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10;/h2-6,11-14,17H,7-9H2,1H3;1H/t11-,12+,13-,14+;/m0./s1
iupac name: methyl (1R,2R,3S,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride @en
inchikey: RIPPXFWUYXTRNJ-BHARVXRSSA-N
smiles: COC(=O)C1C2CCC(N2)CC1OC(=O)C3=CC=CC=C3.Cl
broader: CHEMONTID_0001350
cas number: 61585-22-6
cas number: 18717-72-1
in scheme: Conceptschema Chemische Stoffen
pubchem: 3046136
formula: C16H20ClNO4

2,3',4',5-tetrachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 36186
smiles: C1=CC(=C(C=C1C2=C(C=CC(=C2)Cl)Cl)Cl)Cl
cas number: 32598-11-1
inchikey: KENZYIHFBRWMOD-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB70
inchi: InChI=1S/C12H6Cl4/c13-8-2-4-10(14)9(6-8)7-1-3-11(15)12(16)5-7/h1-6H
iupac name: 1,2-dichloro-4-(2,5-dichlorophenyl)benzene @en
formula: C12H6Cl4

1-methyl-2-propylbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3
smiles: CCCC1=CC=CC=C1C
broader: CHEMONTID_0002811
iupac name: 1-Methyl-2-propylbenzene @en
formula: C10H14
inchikey: YQZBFMJOASEONC-UHFFFAOYSA-N
cas number: 1074-17-5
notation: 1C1y2C3yBen
pubchem: 14091
in scheme: Conceptschema Chemische Stoffen

neodymium 147
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: Nd
iupac name: neodymium-147 @en
pubchem: 114848
cas number: 14269-74-0
smiles: [Nd]
broader: CHEMONTID_0000429
inchikey: QEFYFXOXNSNQGX-AKLPVKDBSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Nd/i1+3
notation: Nd147

nitropyrrolidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 930-55-2
cas number: 68374-63-0
cas number: 35884-45-8
smiles: C1CCN(C1)N=O
notation: NOprldne
inchikey: WNYADZVDBIBLJJ-UHFFFAOYSA-N
formula: C4H8N2O
broader: CHEMONTID_0000218
pubchem: 13591
iupac name: 1-Nitrosopyrrolidine @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2

2-oxepanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 67184-99-0
cas number: 80137-66-2
cas number: 24980-41-4
cas number: 502-44-3
cas number: 52004-64-5
smiles: C1CCC(=O)OCC1
broader: CHEMONTID_0000050
formula: C6H10O2
notation: 2Oxepnn
iupac name: oxepan-2-one @en
in scheme: Conceptschema Chemische Stoffen
inchikey: PAPBSGBWRJIAAV-UHFFFAOYSA-N
pubchem: 10401
inchi: InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2

halofenozide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003100
iupac name: N'-(benzoyl)-N'-tert-butyl-4-chlorobenzohydrazide @en
formula: C18H19ClN2O2
notation: halfnzde
in scheme: Conceptschema Chemische Stoffen
pubchem: 114994
cas number: 112226-61-6
inchikey: CNKHSLKYRMDDNQ-UHFFFAOYSA-N
inchi: InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13/h4-12H,1-3H3,(H,20,22)

arachidezuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: Icosanoic acid @en
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCCCCC(=O)O
notation: arcdzr
cas number: 22302-43-8
cas number: 506-30-9
inchi: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
inchikey: VKOBVWXKNCXXDE-UHFFFAOYSA-N
pubchem: 10467
broader: CHEMONTID_0002949
formula: C20H40O2

fluazifop-P-butyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0004677
pubchem: 3033674
formula: C19H20F3NO4
notation: fluazfPC4y
in scheme: Conceptschema Chemische Stoffen
alternative label: fluazifop-p-butyl
inchikey: VAIZTNZGPYBOGF-CYBMUJFWSA-N
iupac name: butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
inchi: InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1
cas number: 79241-46-6

flazasulfuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: HWATZEJQIXKWQS-UHFFFAOYSA-N
notation: flazsfrn
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(trifluoromethyl)pyridin-2-yl]sulfonylurea @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001861
cas number: 104040-78-0
pubchem: 93539
formula: C13H12F3N5O5S

2,5,8,11-tetraoxadodecaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 25811T4OaC12
cas number: 70992-85-7
cas number: 112-49-2
formula: C8H18O4
iupac name: 1,2-Bis(2-methoxyethoxy)ethane @en
broader: CHEMONTID_0001167
pubchem: 8189
smiles: COCCOCCOCCOC
inchi: InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
inchikey: YFNKIDBQEZZDLK-UHFFFAOYSA-N

ampicilline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 50584-05-9
cas number: 69-53-4
cas number: 37234-64-3
cas number: 98520-55-9
cas number: 800-79-3
cas number: 96707-69-6
cas number: 8056-87-9
cas number: 33604-21-6
cas number: 47355-94-2
inchikey: AVKUERGKIZMTKX-NJBDSQKTSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 6249
broader: CHEMONTID_0000174
notation: ampclne
iupac name: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid @en
inchi: InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
formula: C16H19N3O4S

dibutylisoftalaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 18405
notation: DC4yiFt
inchi: InChI=1S/C16H22O4/c1-3-5-10-19-15(17)13-8-7-9-14(12-13)16(18)20-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3
iupac name: dibutyl benzene-1,3-dicarboxylate @en
cas number: 3126-90-7
inchikey: GOPWOUQJIMLDDM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCC
broader: CHEMONTID_0004010
formula: C16H22O4

perfluor-4-methoxybutaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: CZTBTZZANBJSLY-UHFFFAOYSA-N
smiles: C(=O)(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)O
broader: CHEMONTID_0000483
formula: C5HF9O3
iupac name: 2,2,3,3,4,4-hexafluoro-4-(trifluoromethoxy)butanoic acid @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 12498036
cas number: 863090-89-5
inchi: InChI=1S/C5HF9O3/c6-2(7,1(15)16)3(8,9)4(10,11)17-5(12,13)14/h(H,15,16)
notation: PFMOBA

chloordecone
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
alternative label: chloordecon
broader: CHEMONTID_0001549
notation: cldcne
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one @en
pubchem: 299
inchi: InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20
formula: C10Cl10O
inchikey: LHHGDZSESBACKH-UHFFFAOYSA-N
cas number: 143-50-0

octogeen (hmx)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 141615-54-5
cas number: 121631-13-8
cas number: 5222-46-8
cas number: 66745-90-2
cas number: 97956-01-9
cas number: 2691-41-0
cas number: 66038-26-4
formula: C4H8N8O8
alternative label: octogeen (HMX)
inchi: InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2
smiles: C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
inchikey: UZGLIIJVICEWHF-UHFFFAOYSA-N
notation: octgn
broader: CHEMONTID_0001152
iupac name: 1,3,5,7-tetranitro-1,3,5,7-tetrazocane @en
pubchem: 17596
in scheme: Conceptschema Chemische Stoffen

4-dimethylaminosulfotoluidide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: DMST
broader: CHEMONTID_0000038
iupac name: 1-(dimethylsulfamoylamino)-4-methylbenzene @en
inchi: InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3
cas number: 66840-71-9
in scheme: Conceptschema Chemische Stoffen
pubchem: 738302
formula: C9H14N2O2S
inchikey: UDCDOJQOXWCCSD-UHFFFAOYSA-N
smiles: CC1=CC=C(C=C1)NS(=O)(=O)N(C)C

N-methylaceetamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C3H7NO
pubchem: 6582
in scheme: Conceptschema Chemische Stoffen
cas number: 1320-47-4
cas number: 79-16-3
inchi: InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
broader: CHEMONTID_0002484
inchikey: OHLUUHNLEMFGTQ-UHFFFAOYSA-N
notation: NC1yacAd
iupac name: N-Methylacetamide @en
smiles: CC(=O)NC
alternative label: n-methylaceetamide

tri-o-cresylfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0004619
inchi: InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3
in scheme: Conceptschema Chemische Stoffen
iupac name: ['hydroxy-tris(2-methylphenoxy)phosphanium', 'tris(2-methylphenyl) phosphate'] @en
inchikey: YSMRWXYRXBRSND-UHFFFAOYSA-N
formula: C21H21O4P
cas number: 1336-40-9
cas number: 78-30-8
notation: TocsPO4
pubchem: 6527

hexabroomdifenylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: OJMHGSMSQZEBFH-UHFFFAOYSA-N
cas number: 36483-60-0
inchi: InChI=1S/C12H4Br6O/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4H
broader: CHEMONTID_0001845
iupac name: 1,2,5-tribromo-3-(2,4,6-tribromophenoxy)benzene @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 37454
formula: C12H4Br6O

amidosulfuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000128
in scheme: Conceptschema Chemische Stoffen
cas number: 120923-37-7
inchikey: CTTHWASMBLQOFR-UHFFFAOYSA-N
pubchem: 91777
formula: C9H15N5O7S2
notation: amdsfrn
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-(methyl-methylsulfonylsulfamoyl)urea @en
inchi: InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)

ergocalciferol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 50-14-6
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001460
iupac name: ['(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol', '(1S)-3-[2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol'] @en
formula: C28H44O
inchikey: MECHNRXZTMCUDQ-VLOQVYPSSA-N
inchi: InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+/t20-,22+,25-,26+,27-,28+/m0/s1
pubchem: 6536972
notation: ergccfrl

jodixanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C35H44I6N6O15
notation: jodixnl
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004361
iupac name: 5-[acetyl-[3-[acetyl-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodophenyl]amino]-2-hydroxypropyl]amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide @en
inchikey: NBQNWMBBSKPBAY-UHFFFAOYSA-N
pubchem: 3724
cas number: 92339-11-2

alfa-terpineol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7785-53-7
cas number: 98-55-5
iupac name: 2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-ol @en
in scheme: Conceptschema Chemische Stoffen
notation: aterpnol
broader: CHEMONTID_0001401
inchikey: WUOACPNHFRMFPN-VIFPVBQESA-N
inchi: InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1
pubchem: 442501
smiles: CC1=CCC(CC1)C(C)(C)O
formula: C10H18O

6,10,14-trimethyl-2-pentadecanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 16825-16-4
cas number: 502-69-2
cas number: 13955-74-3
smiles: CC(C)CCCC(C)CCCC(C)CCCC(=O)C
notation: 61014TC1y2C1
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
iupac name: 6,10,14-Trimethylpentadecan-2-one @en
inchikey: WHWDWIHXSPCOKZ-UHFFFAOYSA-N
broader: CHEMONTID_0001550
formula: C18H36O
pubchem: 10408

3-methylpyridine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: ITQTTZVARXURQS-UHFFFAOYSA-N
formula: C6H7N
cas number: 61204-14-6
cas number: 108-99-6
cas number: 82005-08-1
pubchem: 7970
inchi: InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
smiles: CC1=CN=CC=C1
iupac name: 3-Methylpyridine @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004152
notation: 3C1yprdne

2,3',4,4',6-pentabroomdifenylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: PBFOWFPZALCTIY-UHFFFAOYSA-N
broader: CHEMONTID_0003954
cas number: 86029-64-3
in scheme: Conceptschema Chemische Stoffen
formula: C12H5Br5
notation: PBDE119
inchi: InChI=1S/C12H5Br5/c13-7-4-10(16)12(11(17)5-7)6-1-2-8(14)9(15)3-6/h1-5H
iupac name: 1,3,5-tribromo-2-(3,4-dibromophenyl)benzene @en
pubchem: 154485

8:2 fluortelomeerfosfaat diester (8:2 dipap)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: AFWOYEYXUDHGHF-UHFFFAOYSA-N
alternative label: bisperfluordecylwaterstoffosfaat (8:2 diPAP)
alternative label: 8:2 fluortelomeerfosfaat diester
alternative label: bisperfluordecylwaterstoffosfaat (8:2 dipap)
pubchem: 3022253
in scheme: Conceptschema Chemische Stoffen
notation: 8:2 diPAP
notation: bisPFC10yPO4
inchi: InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)
broader: CHEMONTID_0003459
cas number: 678-41-1
iupac name: Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate @en
formula: C20H9F34O4P

hexanal
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C6H12O
iupac name: Hexanal @en
inchi: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
cas number: 66-25-1
pubchem: 6184
smiles: CCCCCC=O
broader: CHEMONTID_0002229
in scheme: Conceptschema Chemische Stoffen
notation: C6al
inchikey: JARKCYVAAOWBJS-UHFFFAOYSA-N

trichloorethyleen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 6575
notation: TClC2e
smiles: C(=C(Cl)Cl)Cl
formula: C2HCl3
inchikey: XSTXAVWGXDQKEL-UHFFFAOYSA-N
broader: CHEMONTID_0002863
cas number: 52037-46-4
cas number: 79-01-6
is referenced by: LUC IV 011
is referenced by: LUC IV 002
is referenced by: LUC IV 000
iupac name: 1,1,2-trichloroethene @en
comment: VLAR II bijl. 4.4.2
comment: VLAR II Art. 5.4.3.1.4
alternative label: trichlooretheen
alternative label: trichloorethyleen (tri)
alternative label: trichlooretheen (tri)
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2HCl3/c3-1-2(4)5/h1H

streptomycine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 2-[(1S,2R,3R,4S,5R,6R)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine @en
pubchem: 19649
cas number: 57-92-1
inchi: InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
formula: C21H39N7O12
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001675
notation: streptmcne
inchikey: UCSJYZPVAKXKNQ-HZYVHMACSA-N

kasugamycine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 6980-18-3
cas number: 19408-46-9
formula: C14H26ClN3O9
inchi: InChI=1S/C14H25N3O9.ClH/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H/t3-,4+,5+,6?,7+,8+,9-,10+,11?,14-;/m1./s1
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid;hydrochloride @en
inchikey: ZDRBJJNXJOSCLR-YZKQBBCCSA-N
broader: CHEMONTID_0001675
pubchem: 88045
notation: kasgmcne

4,4’-methylenebis(2-chlooraniline)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2
formula: C13H12Cl2N2
cas number: 78642-65-6
cas number: 126699-69-2
cas number: 101-14-4
cas number: 51065-07-7
cas number: 29371-14-0
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline @en
pubchem: 7543
inchikey: IBOFVQJTBBUKMU-UHFFFAOYSA-N
alternative label: 4,4'-methyleenbis(2-chlooraniline)
smiles: C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N
notation: 44C1yeb2ClAn
broader: CHEMONTID_0000369

broometheen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 593-60-2
cas number: 25951-54-6
iupac name: Bromoethene @en
pubchem: 11641
smiles: C=CBr
inchi: InChI=1S/C2H3Br/c1-2-3/h2H,1H2
notation: BrC2e
inchikey: INLLPKCGLOXCIV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C2H3Br
broader: CHEMONTID_0002864

glyfosaat-isopropylammonium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 96639-11-1
cas number: 96638-41-4
cas number: 38641-94-0
cas number: 39226-77-2
cas number: 258263-91-1
cas number: 106805-61-2
inchikey: ZEKANFGSDXODPD-UHFFFAOYSA-N
iupac name: 2-(phosphonomethylamino)acetic acid; propan-2-amine @en
formula: C6H17N2O5P
pubchem: 38078
inchi: InChI=1S/C3H8NO5P.C3H9N/c5-3(6)1-4-2-10(7,8)9;1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3
notation: glyfsiC3yNH4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000060
smiles: CC(C)N.C(C(=O)O)NCP(=O)(O)O

camfor
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 2537
notation: camfr
cas number: 8022-77-3
cas number: 8013-55-6
cas number: 21368-68-3
cas number: 76-22-2
cas number: 48113-22-0
cas number: 68546-28-1
formula: C10H16O
inchi: InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
broader: CHEMONTID_0001564
in scheme: Conceptschema Chemische Stoffen
inchikey: DSSYKIVIOFKYAU-UHFFFAOYSA-N
smiles: CC1(C2CCC1(C(=O)C2)C)C
iupac name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one @en

3-chloor-4-methoxyaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: COC1=C(C=C(C=C1)N)Cl
in scheme: Conceptschema Chemische Stoffen
iupac name: 3-Chloro-4-methoxyaniline @en
notation: 3Cl4C1oxAn
pubchem: 21441
cas number: 5345-54-0
broader: CHEMONTID_0004670
formula: C7H8ClNO
inchi: InChI=1S/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
inchikey: XQVCBOLNTSUFGD-UHFFFAOYSA-N

glyfosaat-trimesium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000060
iupac name: 2-(phosphonomethylamino)acetate; trimethylsulfanium @en
inchi: InChI=1S/C3H8NO5P.C3H9S/c5-3(6)1-4-2-10(7,8)9;1-4(2)3/h4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;+1/p-1
inchikey: RUCAXVJJQQJZGU-UHFFFAOYSA-M
cas number: 81591-81-3
cas number: 87090-28-6
smiles: C[S+](C)C.C(C(=O)[O-])NCP(=O)(O)O
pubchem: 105048
notation: glyfsTmsm
formula: C6H16NO5PS
in scheme: Conceptschema Chemische Stoffen

4-chloor-3-methylfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CC1=C(C=CC(=C1)O)Cl
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
inchikey: CFKMVGJGLGKFKI-UHFFFAOYSA-N
iupac name: 4-Chloro-3-methylphenol @en
cas number: 59-50-7
notation: 4Cl3C1yFol
pubchem: 1732
broader: CHEMONTID_0001273
formula: C7H7ClO

indeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
cas number: 95-13-6
cas number: 71551-80-9
cas number: 9003-64-9
pubchem: 7219
inchikey: YBYIRNPNPLQARY-UHFFFAOYSA-N
iupac name: 1H-Indene @en
notation: inde
broader: CHEMONTID_0000021
formula: C9H8
smiles: C1C=CC2=CC=CC=C21

2-chlooracetofenon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: C1=CC=C(C=C1)C(=O)CCl
in scheme: Conceptschema Chemische Stoffen
cas number: 532-27-4
inchikey: IMACFCSSMIZSPP-UHFFFAOYSA-N
notation: 2Clactfnn
inchi: InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
pubchem: 10757
formula: C8H7ClO
iupac name: 2-Chloro-1-phenylethanone @en
broader: CHEMONTID_0004298

di-isodecylftalaat (mix van isomeren)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 105009-98-1
cas number: 148384-02-5
cas number: 68515-49-1
cas number: 119394-45-5
cas number: 26761-40-0
cas number: 89-16-7
cas number: 1341-39-5
alternative label: C10-rijk di-C9-11-vertakt alkylftalaat
alternative label: diisodecylftalaat
broader: CHEMONTID_0001350
inchikey: ZVFDTKUVRCTHQE-UHFFFAOYSA-N
iupac name: bis(8-methylnonyl) benzene-1,2-dicarboxylate @en
pubchem: 33599
notation: C10D911akFt
notation: DiC10yFt
inchi: InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3
formula: C28H46O4

niacyne
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 123574-58-3
cas number: 59-67-6
broader: CHEMONTID_0002414
smiles: C1=CC(=CN=C1)C(=O)O
iupac name: Pyridine-3-carboxylic acid @en
inchi: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
inchikey: PVNIIMVLHYAWGP-UHFFFAOYSA-N
formula: C6H5NO2
notation: niacne
in scheme: Conceptschema Chemische Stoffen
pubchem: 938

germanium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000431
cas number: 129827-75-4
cas number: 7440-56-4
inchikey: GNPVGFCGXDBREM-UHFFFAOYSA-N
formula: Ge
inchi: InChI=1S/Ge
pubchem: 6326954
notation: Ge
smiles: [Ge]
in scheme: Conceptschema Chemische Stoffen
iupac name: GERMANIUM @en

diethyldithiocarbamaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 8990
iupac name: sodium diethylaminomethanedithioate @en
cas number: 149099-81-0
cas number: 19622-06-1
cas number: 148-18-5
cas number: 143189-63-3
broader: CHEMONTID_0004099
in scheme: Conceptschema Chemische Stoffen
formula: C5H10NNaS2
inchikey: IOEJYZSZYUROLN-UHFFFAOYSA-M
notation: DEDC
inchi: InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1
smiles: CCN(CC)C(=S)[S-].[Na+]

maleïnezuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C4H4O4
cas number: 6915-18-0
cas number: 110-17-8
cas number: 623158-97-4
cas number: 110-16-7
smiles: C(=CC(=O)O)C(=O)O
inchikey: VZCYOOQTPOCHFL-OWOJBTEDSA-N
in scheme: Conceptschema Chemische Stoffen
notation: malinzr
broader: CHEMONTID_0000346
pubchem: 444972
iupac name: But-2-enedioic acid @en
inchi: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+

emamectin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 119791-41-2
pubchem: 6440017
broader: CHEMONTID_0000147
formula: C97H146O26
iupac name: (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-12'-[(2R,4S,5R,6S)-4-ethyl-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-21',24'-dihydroxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-12'-[(2R,4S,5R,6S)-4-ethyl-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one @en
inchi: InChI=1S/C49H74O13.C48H72O13/c1-11-26(3)44-29(6)18-19-48(62-44)24-36-22-35(61-48)17-16-28(5)43(27(4)14-13-15-34-25-55-46-41(50)30(7)20-37(47(52)58-36)49(34,46)53)59-39-21-33(12-2)45(32(9)57-39)60-40-23-38(54-10)42(51)31(8)56-40;1-11-32-20-38(56-31(9)44(32)59-39-22-37(53-10)41(50)30(8)55-39)58-43-26(4)13-12-14-33-24-54-45-40(49)29(7)19-36(48(33,45)52)46(51)57-35-21-34(16-15-27(43)5)60-47(23-35)18-17-28(6)42(61-47)25(2)3/h13-16,18-20,26-27,29,31-33,35-46,50-51,53H,11-12,17,21-25H2,1-10H3;12-15,17-19,25-26,28,30-32,34-45,49-50,52H,11,16,20-24H2,1-10H3/b14-13+,28-16+,34-15+;13-12+,27-15+,33-14+/t26-,27-,29-,31-,32-,33-,35+,36-,37-,38-,39-,40-,41+,42-,43-,44+,45-,46+,48+,49+;26-,28-,30-,31-,32-,34+,35-,36-,37-,38-,39-,40+,41-,42+,43-,44-,45+,47+,48+/m00/s1
in scheme: Conceptschema Chemische Stoffen
inchikey: WQYWHGOKYSMVFW-ZOKDRQBOSA-N
notation: emmtn

1,2-dichloor-1,1,3,3,3-pentafluorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C3HCl2F5
pubchem: 61115
notation: HCFK225da
in scheme: Conceptschema Chemische Stoffen
cas number: 431-86-7
inchikey: XAHBEACGJQDUPF-UHFFFAOYSA-N
inchi: InChI=1S/C3HCl2F5/c4-1(2(5,6)7)3(8,9)10/h1H
broader: CHEMONTID_0001517
iupac name: 1,2-DICHLORO-1,1,3,3,3-PENTAFLUOROPROPANE @en
smiles: C(C(F)(F)F)(C(F)(F)Cl)Cl

meclocycline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000181
in scheme: Conceptschema Chemische Stoffen
cas number: 2013-58-3
inchikey: SEPIRJBAIBYOSG-IGVRTFPHSA-N
notation: mecccne
iupac name: (2E,4S,4aR,5S,5aR,12aS)-2-(amino-hydroxymethylidene)-7-chloro-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione @en
pubchem: 5359674
formula: C22H21ClN2O8
inchi: InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26-28,32-33H,1,24H2,2-3H3/b21-13+/t10-,14-,15+,17+,22+/m1/s1

5-nitro-ortho-anisidine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C7H8N2O3
cas number: 99-59-2
cas number: 52756-54-4
inchi: InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3
broader: CHEMONTID_0004671
smiles: COC1=C(C=C(C=C1)[N+](=O)[O-])N
iupac name: 2-Methoxy-5-nitroaniline @en
inchikey: NIPDVSLAMPAWTP-UHFFFAOYSA-N
notation: 5NO2oansdne
pubchem: 7447

orbencarb
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: S-[(2-chlorophenyl)methyl] diethylaminomethanethioate @en
in scheme: Conceptschema Chemische Stoffen
inchikey: LLLFASISUZUJEQ-UHFFFAOYSA-N
cas number: 34622-58-7
formula: C12H16ClNOS
notation: orbcb
broader: CHEMONTID_0001099
inchi: InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3
smiles: CCN(CC)C(=O)SCC1=CC=CC=C1Cl
pubchem: 36867

4-chloor-4'-hydroxybenzofenon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 123504
in scheme: Conceptschema Chemische Stoffen
iupac name: (4-chlorophenyl)-(4-hydroxyphenyl)methanone @en
cas number: 42019-78-3
smiles: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)O
inchikey: RUETVLNXAGWCDS-UHFFFAOYSA-N
inchi: InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H
formula: C13H9ClO2
broader: CHEMONTID_0000120
notation: 4Cl4HOxbzfnn

fentanyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 3345
cas number: 437-38-7
cas number: 80832-90-2
in scheme: Conceptschema Chemische Stoffen
iupac name: N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide @en
formula: C22H28N2O
broader: CHEMONTID_0000372
inchikey: PJMPHNIQZUBGLI-UHFFFAOYSA-N
notation: fentnl
inchi: InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3

methyldifenylfosfineoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2129-89-7
formula: C13H13OP
iupac name: (methyl-phenylphosphoryl)benzene @en
notation: C1yDFyPO
inchikey: PEGCITODQASXKH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 75041
smiles: CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
inchi: InChI=1S/C13H13OP/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
broader: CHEMONTID_0001814

2-(2-(2-butoxyethoxy)ethoxy)ethanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CCCCOCCOCCOCCO
notation: 222C4oxC2oxC
inchi: InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-[2-(2-Butoxyethoxy)ethoxy]ethanol @en
inchikey: COBPKKZHLDDMTB-UHFFFAOYSA-N
formula: C10H22O4
cas number: 143-22-6
broader: CHEMONTID_0003338
pubchem: 8923

cyanazine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2-[(4-chloro-6-ethylamino-1,3,5-triazin-2-yl)amino]-2-methylpropanenitrile @en
cas number: 21725-46-2
cas number: 11096-88-1
cas number: 12679-53-7
formula: C9H13ClN6
broader: CHEMONTID_0001693
inchi: InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)
in scheme: Conceptschema Chemische Stoffen
notation: CNazne
inchikey: MZZBPDKVEFVLFF-UHFFFAOYSA-N
pubchem: 30773
smiles: CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N

trietazine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 6-Chloro-N,N,N'-triethyl-1,3,5-triazine-2,4-diamine @en
inchikey: HFBWPRKWDIRYNX-UHFFFAOYSA-N
notation: Tetzne
pubchem: 15951
broader: CHEMONTID_0004734
inchi: InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)
smiles: CCNC1=NC(=NC(=N1)Cl)N(CC)CC
in scheme: Conceptschema Chemische Stoffen
formula: C9H16ClN5
cas number: 1912-26-1

2-acetylaminofluoreen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 2actAoFle
smiles: CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2
formula: C15H13NO
broader: CHEMONTID_0000020
cas number: 2508-21-6
cas number: 53-96-3
inchi: InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)
pubchem: 5897
iupac name: N-(9H-Fluoren-2-yl)acetamide @en
inchikey: CZIHNRWJTSTCEX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

oxyfluorfen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C15H11ClF3NO4
notation: OxFfn
broader: CHEMONTID_0004155
inchikey: OQMBBFQZGJFLBU-UHFFFAOYSA-N
cas number: 42874-03-3
iupac name: 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethoxy-1-nitrobenzene @en
pubchem: 39327
in scheme: Conceptschema Chemische Stoffen

fenitrothion
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-]
cas number: 12764-87-3
cas number: 54182-70-6
cas number: 122-14-5
cas number: 94650-98-3
notation: feNO2ton
iupac name: dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidenephosphorane @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 31200
formula: C9H12NO5PS
broader: CHEMONTID_0004748
inchi: InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3
inchikey: ZNOLGFHPUIJIMJ-UHFFFAOYSA-N

tetraacetylethyleendiamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: BGRWYDHXPHLNKA-UHFFFAOYSA-N
inchi: InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3
pubchem: 66347
formula: C10H16N2O4
iupac name: N-acetyl-N-[2-(diacetylamino)ethyl]acetamide @en
notation: TAED
cas number: 10543-57-4
in scheme: Conceptschema Chemische Stoffen
smiles: CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C
broader: CHEMONTID_0001658

1-methyl-2-pyrrolidinon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 53774-35-9
cas number: 57762-46-6
cas number: 51013-18-4
cas number: 30207-69-3
cas number: 872-50-4
cas number: 26138-58-9
inchikey: SECXISVLQFMRJM-UHFFFAOYSA-N
formula: C5H9NO
alternative label: N-methylpyrrolidon
alternative label: n-methylpyrrolidon
smiles: CN1CCCC1=O
notation: 1C1y2prldnn
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003449
comment: VLAREM II bijlage 4.4.2
pubchem: 13387
iupac name: 1-methylpyrrolidin-2-one @en
inchi: InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3

3,5-dinitrotolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 12067
broader: CHEMONTID_0003969
inchikey: RUIFULUFLANOCI-UHFFFAOYSA-N
cas number: 618-85-9
formula: C7H6N2O4
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3
smiles: CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
iupac name: 1-Methyl-3,5-dinitrobenzene @en
notation: 35DNO2Tol

2-tert-butyl-4-methoxyfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 921-00-6
cas number: 1341-82-8
cas number: 121-00-6
cas number: 25013-16-5
notation: 2ttC4y4C1oxF
formula: C11H16O2
pubchem: 8456
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)(C)C1=C(C=CC(=C1)OC)O
inchikey: MRBKEAMVRSLQPH-UHFFFAOYSA-N
iupac name: 2-tert-Butyl-4-methoxyphenol @en
broader: CHEMONTID_0000190
inchi: InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3

ijzer(iii)oxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
alternative label: ijzer(III)oxide
cas number: 12259-21-1
cas number: 1309-37-1
in scheme: Conceptschema Chemische Stoffen
pubchem: 61560
smiles: O.[O-2].[O-2].[O-2].[Fe+3].[Fe+3]
formula: Fe2H2O4
inchi: InChI=1S/2Fe.H2O.3O/h;;1H2;;;/q2*+3;;3*-2
notation: FeIIIO
iupac name: iron(+3) cation; oxygen(-2) anion; hydrate @en
inchikey: QGPQTSCLUYMZHL-UHFFFAOYSA-N
broader: CHEMONTID_0001270

trimethylhydrazine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 1741-01-1
inchi: InChI=1S/C3H10N2/c1-4-5(2)3/h4H,1-3H3
smiles: CNN(C)C
iupac name: 1,1,2-trimethylhydrazine @en
broader: CHEMONTID_0004511
formula: C3H10N2
pubchem: 43369
inchikey: NIIPNAJXERMYOG-UHFFFAOYSA-N
notation: TC1yhdzne

renium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7440-15-5
cas number: 22541-28-2
formula: Re
broader: CHEMONTID_0000426
smiles: [Re]
inchi: InChI=1S/Re
pubchem: 23947
inchikey: WUAPFZMCVAUBPE-UHFFFAOYSA-N
notation: Re
in scheme: Conceptschema Chemische Stoffen
iupac name: RHENIUM @en

para-xyleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 68411-39-2
cas number: 106-42-3
cas number: 68650-36-2
smiles: CC1=CC=C(C=C1)C
pubchem: 7809
is referenced by: LUC IV 000
is referenced by: LUC IV 001
is referenced by: LUC IV 011
iupac name: 1,4-Dimethylbenzene @en
inchi: InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
alternative label: 1,4-Dimethylbenzeen
alternative label: 1,4-xyleen
alternative label: p-xyleen
inchikey: URLKBWYHVLBVBO-UHFFFAOYSA-N
notation: 14xyln
comment: VLAR II bijl. 4.4.2 'xylenen'
formula: C8H10
broader: CHEMONTID_0004211
in scheme: Conceptschema Chemische Stoffen

fenoprop
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl
inchikey: ZLSWBLPERHFHIS-UHFFFAOYSA-N
inchi: InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)
notation: 245TP
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004676
cas number: 93-72-1
cas number: 32795-97-4
cas number: 7361-37-7
alternative label: 2,4,5-trichloorfenoxypropionzuur
pubchem: 7158
iupac name: 2-(2,4,5-trichlorophenoxy)propanoic acid @en
formula: C9H7Cl3O3

3-methyl-5-fenyl-1h-pyrazol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CC1=CC(=NN1)C2=CC=CC=C2
broader: CHEMONTID_0002019
inchi: InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
alternative label: 3-methyl-5-fenyl-1H-pyrazol
cas number: 3347-62-4
formula: C10H10N2
iupac name: 3-methyl-5-phenyl-2H-pyrazole @en
pubchem: 18774
notation: 3C1y5Fy1Hprz
in scheme: Conceptschema Chemische Stoffen
inchikey: QHRSESMSOJZMCO-UHFFFAOYSA-N

fullereen c70
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C70
alternative label: fullereen C70
broader: CHEMONTID_0000316
cas number: 115383-22-7
notation: fullrnC70
pubchem: 16131935
inchikey: ATLMFJTZZPOKLC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: (C70-D5h(6))[5,6]fullerene @en

lactofen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: (1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate @en
notation: lactfn
formula: C19H15ClF3NO7
cas number: 77501-63-4
cas number: 143956-87-0
cas number: 83513-60-4
inchikey: CONWAEURSVPLRM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004155
pubchem: 62276

johexol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0004718
pubchem: 3730
in scheme: Conceptschema Chemische Stoffen
cas number: 66108-95-0
formula: C19H26I3N3O9
iupac name: 5-(acetyl-(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide @en
inchikey: NTHXOOBQLCIOLC-UHFFFAOYSA-N
inchi: InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)
notation: johxl

broomfenoxim
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: Brfnxm
broader: CHEMONTID_0000036
pubchem: 5360414
inchikey: VTQWKUZUPOTXEH-UHFFFAOYSA-N
formula: C13H7Br2N3O6
cas number: 13181-17-4
smiles: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ONC=C2C=C(C(=O)C(=C2)Br)Br
inchi: InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,16H
in scheme: Conceptschema Chemische Stoffen

clenbuterol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: STJMRWALKKWQGH-UHFFFAOYSA-N
iupac name: 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol @en
formula: C12H18Cl2N2O
smiles: CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
cas number: 37148-27-9
cas number: 50306-03-1
cas number: 50499-60-0
broader: CHEMONTID_0002564
inchi: InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
pubchem: 2783
notation: clenbtrl

chroom, driewaardig
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 27668
inchi: InChI=1S/Cr/q+3
broader: CHEMONTID_0000426
iupac name: chromium(+3) cation @en
alternative label: chroom (driewaardig)
notation: CrIII
formula: Cr+3
inchikey: BFGKITSFLPAWGI-UHFFFAOYSA-N
cas number: 16065-83-1
smiles: [Cr+3]

prothioconazol-desthio
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 119361
inchi: InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2
iupac name: 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol @en
inchikey: HHUQPWODPBDTLI-UHFFFAOYSA-N
smiles: C1CC1(C(CC2=CC=CC=C2Cl)(CN3C=NC=N3)O)Cl
cas number: 120983-64-4
broader: CHEMONTID_0001099
formula: C14H15Cl2N3O
notation: protocnzdto
in scheme: Conceptschema Chemische Stoffen

diniconazool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: Dncnzl
inchikey: FBOUIAKEJMZPQG-AWNIVKPZSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 83657-24-3
cas number: 101179-53-7
cas number: 76714-88-0
cas number: 70217-36-6
pubchem: 6436605
iupac name: ['1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol', '(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol'] @en
inchi: InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+
broader: CHEMONTID_0002754
formula: C15H17Cl2N3O

joodpropynylbutylcarbamaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C8H12INO2
pubchem: 62097
in scheme: Conceptschema Chemische Stoffen
iupac name: 3-iodoprop-2-ynyl N-butylcarbamate @en
cas number: 161849-41-8
cas number: 55406-53-6
cas number: 104732-42-5
cas number: 84826-91-5
cas number: 85045-09-6
inchikey: WYVVKGNFXHOCQV-UHFFFAOYSA-N
broader: CHEMONTID_0002285
smiles: CCCCNC(=O)OCC#CI
notation: IppnC4ycbmt
inchi: InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)

2-fenyl-1h-benzimidazol-5-sulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 2Fy1Hbzmdz5s
broader: CHEMONTID_0000330
formula: C13H10N2O3S
iupac name: 2-phenyl-3H-benzimidazole-5-sulfonic acid @en
inchi: InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)
cas number: 27503-81-7
cas number: 165659-93-8
inchikey: UVCJGUGAGLDPAA-UHFFFAOYSA-N
alternative label: 2-fenyl-1H-benzimidazol-5-sulfonzuur
in scheme: Conceptschema Chemische Stoffen
pubchem: 33919

natriumbromaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: SODIUM BROMATE @en
inchikey: XUXNAKZDHHEHPC-UHFFFAOYSA-M
cas number: 38869-76-0
cas number: 7789-38-0
cas number: 38869-75-9
inchi: InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
formula: BrNaO3
smiles: [O-]Br(=O)=O.[Na+]
broader: CHEMONTID_0000631
notation: NaBrO3
pubchem: 24607

cesium 137
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 5486527
notation: Cs137
iupac name: cesium-137 @en
cas number: 10045-97-3
inchi: InChI=1S/Cs/i1+4
formula: Cs
inchikey: TVFDJXOCXUVLDH-RNFDNDRNSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
smiles: [Cs]

paclitaxel
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000676
pubchem: 441276
in scheme: Conceptschema Chemische Stoffen
notation: pactxl
inchikey: RCINICONZNJXQF-VAZQATRQSA-N
inchi: InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1
formula: C47H51NO14
iupac name: [(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate @en
cas number: 33069-62-4

octabroomdifenylether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C12H2Br8O
pubchem: 6537506
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001845
inchikey: ORYGKUIDIMIRNN-UHFFFAOYSA-N
cas number: 32536-52-0
inchi: InChI=1S/C12H2Br8O/c13-3-1-5(9(17)11(19)7(3)15)21-6-2-4(14)8(16)12(20)10(6)18/h1-2H
iupac name: 1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenoxy)benzene @en

2-chloorfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 2ClFol
iupac name: 2-Chlorophenol @en
inchi: InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
smiles: C1=CC=C(C(=C1)O)Cl
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002771
inchikey: ISPYQTSUDJAMAB-UHFFFAOYSA-N
pubchem: 7245
cas number: 95-57-8
cas number: 25167-80-0
formula: C6H5ClO

2-aminoethylpiperazine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2
notation: 2AoC2ypprzne
iupac name: 2-piperazin-1-ylethanamine @en
smiles: C1CN(CCN1)CCN
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003357
cas number: 140-31-8
inchikey: IMUDHTPIFIBORV-UHFFFAOYSA-N
formula: C6H15N3
pubchem: 8795

calciumcyanamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C(#N)N.[Ca+2]
formula: CH2CaN2+2
pubchem: 21917771
iupac name: CALCIUM CYANAMIDE @en
inchikey: STRTXDFFNXSZQB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: CacaAd
inchi: InChI=1S/CH2N2.Ca/c2-1-3;/h2H2;/q;+2
cas number: 156-62-7

pp'dichloordifenyldichlooretheen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: UCNVFOCBFJOQAL-UHFFFAOYSA-N
pubchem: 3035
notation: 44DDE
inchi: InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
alternative label: 4,4'-dichloordifenyldichlooretheen
alternative label: p,p’-dde
cas number: 72-55-9
cas number: 12002-54-9
cas number: 68679-99-2
formula: C14H8Cl4
broader: CHEMONTID_0000369
iupac name: 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene @en

neptunium 238
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: Np
iupac name: neptunium-238 @en
cas number: 15766-25-3
in scheme: Conceptschema Chemische Stoffen
pubchem: 167422
inchikey: LFNLGNPSGWYGGD-OUBTZVSYSA-N
smiles: [Np]
inchi: InChI=1S/Np/i1+1
broader: CHEMONTID_0000430
notation: Np238

cis-15-tetracoseenzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C24H46O2
pubchem: 5281120
smiles: CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
in scheme: Conceptschema Chemische Stoffen
notation: c15C24ezr
broader: CHEMONTID_0002950
inchikey: GWHCXVQVJPWHRF-KTKRTIGZSA-N
iupac name: (Z)-tetracos-15-enoic acid @en
cas number: 506-37-6

chloorfacinon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione @en
cas number: 3691-35-8
notation: clfcnn
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000369
pubchem: 19402
inchi: InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H
inchikey: UDHXJZHVNHGCEC-UHFFFAOYSA-N
formula: C23H15ClO3

bromocriptine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002746
inchi: InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
iupac name: (6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide @en
notation: Brctne
formula: C32H40BrN5O5
inchikey: OZVBMTJYIDMWIL-AYFBDAFISA-N
pubchem: 31101
cas number: 25614-03-3

koper
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 133353-47-6
cas number: 72514-83-1
cas number: 65555-90-0
cas number: 133353-46-5
cas number: 195161-80-9
cas number: 7440-50-8
iupac name: Copper @en
broader: CHEMONTID_0000426
inchi: InChI=1S/Cu
smiles: [Cu]
notation: Cu
in scheme: Conceptschema Chemische Stoffen
inchikey: RYGMFSIKBFXOCR-UHFFFAOYSA-N
pubchem: 23978
formula: Cu

medetomidine hydrochloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl
inchi: InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H
iupac name: 4-[1-(2,3-dimethylphenyl)ethyl]-3H-imidazole hydrochloride @en
broader: CHEMONTID_0004210
cas number: 86347-15-1
cas number: 86347-14-0
formula: C13H17ClN2
notation: medtmdneHCl
inchikey: VPNGEIHDPSLNMU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 68601

fonofos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: fonfs
broader: CHEMONTID_0002279
iupac name: ethoxy-ethyl-phenylsulfanyl-sulfanylidenephosphorane @en
inchikey: KVGLBTYUCJYMND-UHFFFAOYSA-N
inchi: InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
pubchem: 13676
cas number: 944-22-9
cas number: 66767-39-3
smiles: CCOP(=S)(CC)SC1=CC=CC=C1
in scheme: Conceptschema Chemische Stoffen
formula: C10H15OPS2

cyhalothrin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: ZXQYGBMAQZUVMI-UNOMPAQXSA-N
pubchem: 5281873
notation: cyhltn
formula: C23H19ClF3NO3
cas number: 68085-85-8
broader: CHEMONTID_0001461
iupac name: ['[cyano-[3-(phenoxy)phenyl]methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[3-(phenoxy)phenyl]methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate'] @en

natriumchloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: Sodium chloride @en
notation: NaCl
in scheme: Conceptschema Chemische Stoffen
cas number: 8028-77-1
cas number: 32343-72-9
cas number: 11062-32-1
cas number: 14762-51-7
cas number: 14784-90-8
cas number: 7647-14-5
cas number: 11062-43-4
broader: CHEMONTID_0000563
formula: ClNa
pubchem: 5234
inchikey: FAPWRFPIFSIZLT-UHFFFAOYSA-M
smiles: [Na+].[Cl-]
inchi: InChI=1S/ClH.Na/h1H;/q;+1/p-1

1h,1h,2h,2h-perfluorooctaansulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 6:2 FTS
notation: H4PFOS
notation: 2PFC6yC2a1sf
alternative label: 6:2 fluortelomeersulfonzuur (6:2 fts)
alternative label: 2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 fts)
alternative label: 2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 FTS)
alternative label: 1H,1H,2H,2H-perfluorooctaansulfonzuur
alternative label: 6:2 fluortelomeersulfonzuur
formula: C8H5F13O3S
inchi: InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)
cas number: 27619-97-2
broader: CHEMONTID_0001179
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 119688
inchikey: VIONGDJUYAYOPU-UHFFFAOYSA-N

trimethyleenglycol (1,3-propyleenglycol)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
notation: TC1yegcl
in scheme: Conceptschema Chemische Stoffen
iupac name: Propane-1,3-diol @en
pubchem: 10442
inchikey: YPFDHNVEDLHUCE-UHFFFAOYSA-N
formula: C3H8O2
cas number: 757125-93-2
cas number: 504-63-2
broader: CHEMONTID_0000286
smiles: C(CO)CO

2,3',4,4',5-pentachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
is referenced by: LUC VI 002
is referenced by: CMA 3 I
cas number: 31508-00-6
inchi: InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H
comment: VLAR III (D3) 'dioxineachtige PCB's'
alternative label: PCB 118
alternative label: 2,3',4,4',5-pentachloorbifenyl (pcb118)
alternative label: pcb 118
pubchem: 35823
formula: C12H5Cl5
broader: CHEMONTID_0003030
inchikey: IUTPYMGCWINGEY-UHFFFAOYSA-N
iupac name: 1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene @en
notation: PCB118
in scheme: Conceptschema Chemische Stoffen

amcinonide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 39858
notation: amcnnde
in scheme: Conceptschema Chemische Stoffen
cas number: 51022-69-6
inchikey: ILKJAFIWWBXGDU-WRRBAOOESA-N
formula: C28H35FO7
iupac name: [2-[(2S,4R,8S,11S,12R)-12-fluoro-11-hydroxy-9,13-dimethyl-16-oxospiro[5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,1'-cyclopentane]-8-yl]-2-oxoethyl] acetate @en
inchi: InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19?,20-,21-,23+,24?,25?,27-,28+/m0/s1
broader: CHEMONTID_0001468

ifosfamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 84711-20-6
cas number: 66849-34-1
cas number: 36341-88-5
cas number: 66849-33-0
cas number: 3778-73-2
inchikey: HOMGKSMUEGBAAB-UHFFFAOYSA-N
pubchem: 3690
notation: iffAd
smiles: C1CN(P(=O)(OC1)NCCCl)CCCl
in scheme: Conceptschema Chemische Stoffen
iupac name: ['(2S)-N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', '(2R)-N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,3-bis(2-chloroethyl)-2-hydroxy-1,3,2-oxazaphosphinan-2-ium-2-amine'] @en
broader: CHEMONTID_0002858
formula: C7H15Cl2N2O2P

isobutanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
cas number: 68989-27-5
cas number: 78-83-1
pubchem: 6560
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
iupac name: 2-Methylpropan-1-ol @en
is referenced by: LUC IV 009
is referenced by: LUC IV 000
is referenced by: LUC IV 012
notation: 2C1yC3ol
alternative label: 2-methylpropanol (iso-butanol)
inchi: InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
broader: CHEMONTID_0000286
formula: C4H10O
smiles: CC(C)CO

2,4,6-trichloorfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
pubchem: 6914
notation: 246TClFol
smiles: C1=C(C=C(C(=C1Cl)O)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
inchikey: LINPIYWFGCPVIE-UHFFFAOYSA-N
broader: CHEMONTID_0002772
formula: C6H3Cl3O
iupac name: 2,4,6-Trichlorophenol @en
cas number: 88-06-2

crotamiton
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000285
pubchem: 688020
cas number: 483-63-6
notation: crotmtn
inchikey: DNTGGZPQPQTDQF-XBXARRHUSA-N
iupac name: ['(E)-N-ethyl-N-(2-methylphenyl)but-2-enamide', 'N-ethyl-N-(2-methylphenyl)but-2-enamide'] @en
inchi: InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+
smiles: CCN(C1=CC=CC=C1C)C(=O)C=CC
formula: C13H17NO

1-methoxyhexaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: ICBJCVRQDSQPGI-UHFFFAOYSA-N
iupac name: 1-Methoxyhexane @en
pubchem: 78484
formula: C7H16O
cas number: 4747-07-3
smiles: CCCCCCOC
in scheme: Conceptschema Chemische Stoffen
notation: 1C1oxC6a
broader: CHEMONTID_0001167
inchi: InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3

titaantetrachloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 11130-18-0
cas number: 7550-45-0
cas number: 44246-22-2
cas number: 15612-71-2
cas number: 7705-07-9
iupac name: ['titanium(+4) cation tetrachloride', 'Tetrachlorotitanium'] @en
inchi: InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4
formula: Cl4Ti
notation: TiT4Cl
pubchem: 24193
broader: CHEMONTID_0000588
inchikey: XJDNKRIXUMDJCW-UHFFFAOYSA-J
in scheme: Conceptschema Chemische Stoffen
smiles: Cl[Ti](Cl)(Cl)Cl

sulfadoxine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 2447-57-6
broader: CHEMONTID_0001925
pubchem: 17134
inchi: InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
inchikey: PJSFRIWCGOHTNF-UHFFFAOYSA-N
notation: sulfdxne
formula: C12H14N4O4S
iupac name: 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide @en

flocoumafen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002044
iupac name: 2-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-4-one @en
formula: C33H25F3O4
notation: flocmfn
pubchem: 91748
inchi: InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,38H,17-19H2
in scheme: Conceptschema Chemische Stoffen
inchikey: OWUZCVPRFKSBRG-UHFFFAOYSA-N
cas number: 90035-08-8

laurylsulfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C12H26.2H2O4S.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-5(2,3)4;/h3-12H2,1-2H3;2*(H2,1,2,3,4);/q;;;+2/p-4
broader: CHEMONTID_0003929
smiles: CCCCCCCCCCCC.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zn+2]
formula: C12H26O8S2Zn-2
in scheme: Conceptschema Chemische Stoffen
cas number: 22397-58-6
cas number: 151-41-7
pubchem: 16205018
inchikey: MFXAFJHONPALGF-UHFFFAOYSA-J
iupac name: zinc dodecane disulfate @en
notation: C12ySO4

lanthaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: LANTHANUM @en
broader: CHEMONTID_0000429
cas number: 14762-71-1
cas number: 110123-48-3
cas number: 17643-88-8
cas number: 7439-91-0
pubchem: 23926
in scheme: Conceptschema Chemische Stoffen
notation: La
formula: La
inchikey: FZLIPJUXYLNCLC-UHFFFAOYSA-N
smiles: [La]
inchi: InChI=1S/La

ethofumesaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: IRCMYGHHKLLGHV-UHFFFAOYSA-N
notation: etfmst
cas number: 26225-79-6
inchi: InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3
iupac name: (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate @en
alternative label: ethofumesate
in scheme: Conceptschema Chemische Stoffen
formula: C13H18O5S
pubchem: 33360
broader: CHEMONTID_0004189

dibutyltin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CCCC[Sn]CCCC
broader: CHEMONTID_0001524
inchikey: AYOHIQLKSOJJQH-UHFFFAOYSA-N
cas number: 1002-53-5
in scheme: Conceptschema Chemische Stoffen
iupac name: dibutyltin @en
formula: C8H18Sn
pubchem: 6484
inchi: InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;

3-(hydroxymethylfosfinoyl)propionzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)
pubchem: 84788
broader: CHEMONTID_0001205
formula: C4H9O4P
smiles: CP(=O)(CCC(=O)O)O
inchikey: QXFUBAAEKCHBQY-UHFFFAOYSA-N
iupac name: 3-(hydroxy-methylphosphoryl)propanoic acid @en
notation: 3C1yPppozr
cas number: 15090-23-0

molybdeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: [Mo]
broader: CHEMONTID_0000426
cas number: 7439-98-7
cas number: 22541-84-0
cas number: 16065-87-5
formula: Mo
inchikey: ZOKXTWBITQBERF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: Molybdenum @en
pubchem: 23932
notation: Mo
inchi: InChI=1S/Mo

1-chloorhexadecaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001516
inchikey: CLWAXFZCVYJLLM-UHFFFAOYSA-N
formula: C16H33Cl
iupac name: 1-Chlorohexadecane @en
cas number: 4860-03-1
notation: 1ClC16a
pubchem: 20993
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
smiles: CCCCCCCCCCCCCCCCCl

demeton
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: FAXIJTUDSBIMHY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003384
iupac name: diethoxy-(2-ethylsulfanylethoxy)-sulfanylidenephosphorane; 1-(2-diethoxyphosphorylsulfanylethylsulfanyl)ethane @en
inchi: InChI=1S/2C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;1-4-9-12(13,10-5-2)11-7-8-14-6-3/h2*4-8H2,1-3H3
cas number: 8065-48-3
cas number: 8058-73-9
cas number: 34624-53-8
cas number: 8000-97-3
pubchem: 24722
formula: C16H38O6P2S4
smiles: CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC

2-butaanthiol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 513-53-1
cas number: 91840-99-2
iupac name: butane-2-thiol @en
smiles: CCC(C)S
pubchem: 10560
inchikey: LOCHFZBWPCLPAN-UHFFFAOYSA-N
inchi: InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
formula: C4H10S
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001212
notation: 2C4atol

dichloorfluormethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: dichloro-fluoromethane @en
in scheme: Conceptschema Chemische Stoffen
notation: HCFK21
pubchem: 6370
cas number: 39289-28-6
cas number: 75-43-4
broader: CHEMONTID_0004160
inchikey: UMNKXPULIDJLSU-UHFFFAOYSA-N
formula: CHCl2F
inchi: InChI=1S/CHCl2F/c2-1(3)4/h1H
smiles: C(F)(Cl)Cl

ethyl chloorformaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C3H5ClO2
smiles: CCOC(=O)Cl
notation: C2yClfmt
cas number: 52803-29-9
cas number: 541-41-3
broader: CHEMONTID_0000364
inchi: InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3
pubchem: 10928
iupac name: ETHYL CHLOROFORMATE @en
inchikey: RIFGWPKJUGCATF-UHFFFAOYSA-N

famfur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 5859
smiles: CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC
notation: famfr
iupac name: 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide @en
formula: C10H16NO5PS2
inchikey: JISACBWYRJHSMG-UHFFFAOYSA-N
cas number: 52-85-7
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004748
inchi: InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3

daminozide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1596-84-5
cas number: 1861-26-3
cas number: 74913-15-8
notation: damnzde
broader: CHEMONTID_0000333
in scheme: Conceptschema Chemische Stoffen
smiles: CN(C)NC(=O)CCC(=O)O
formula: C6H12N2O3
inchi: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
pubchem: 15331
iupac name: 4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid @en
inchikey: NOQGZXFMHARMLW-UHFFFAOYSA-N

2-trans-4-trans-decadienal
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002229
inchikey: JZQKTMZYLHNFPL-BLHCBFLLSA-N
formula: C10H16O
smiles: CCCCCC=CC=CC=O
inchi: InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+
pubchem: 5283349
cas number: 30551-18-9
cas number: 2363-88-4
cas number: 25152-84-5
notation: 2t4tDcdeal
iupac name: ['deca-2,4-dienal', '(2E,4E)-deca-2,4-dienal'] @en
in scheme: Conceptschema Chemische Stoffen

bis(tribroomfenoxy)-ethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 1,3,5-tribromo-2-[2-(2,4,6-tribromophenoxy)ethoxy]benzene @en
inchi: InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2
in scheme: Conceptschema Chemische Stoffen
pubchem: 37840
inchikey: YATIGPZCMOYEGE-UHFFFAOYSA-N
cas number: 59764-36-2
cas number: 37853-59-1
formula: C14H8Br6O2
broader: CHEMONTID_0002341

perchloormethylmercaptan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: RYFZYYUIAZYQLC-UHFFFAOYSA-N
formula: CCl4S
broader: CHEMONTID_0004160
smiles: C(SCl)(Cl)(Cl)Cl
inchi: InChI=1S/CCl4S/c2-1(3,4)6-5
in scheme: Conceptschema Chemische Stoffen
cas number: 20434-91-7
cas number: 594-42-3
pubchem: 11666
iupac name: trichloromethyl thiohypochlorite @en
notation: perClC1ymctn

ruthenium 103
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/Ru/i1+2
pubchem: 104749
inchikey: KJTLSVCANCCWHF-NJFSPNSNSA-N
iupac name: ruthenium-103 @en
notation: Ru103
in scheme: Conceptschema Chemische Stoffen
cas number: 13968-53-1
broader: CHEMONTID_0000426
formula: Ru
smiles: [Ru]

2,6-dichloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 36342
inchikey: IYZWUWBAFUBNCH-UHFFFAOYSA-N
notation: PCB10
iupac name: 1,3-dichloro-2-phenylbenzene @en
cas number: 33146-45-1
smiles: C1=CC=C(C=C1)C2=C(C=CC=C2Cl)Cl
inchi: InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H
formula: C12H8Cl2
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen

2,3,6-trichloorfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
formula: C6H3Cl3O
smiles: C1=CC(=C(C(=C1Cl)O)Cl)Cl
pubchem: 13618
broader: CHEMONTID_0002771
inchikey: XGCHAIDDPMFRLJ-UHFFFAOYSA-N
cas number: 933-75-5
in scheme: Conceptschema Chemische Stoffen
notation: 236TClFol
iupac name: 2,3,6-TRICHLOROPHENOL @en

tritriacontaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C33H68
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
iupac name: Tritriacontane @en
in scheme: Conceptschema Chemische Stoffen
inchikey: SUJUOAZFECLBOA-UHFFFAOYSA-N
notation: C33a
cas number: 630-05-7
pubchem: 12411
broader: CHEMONTID_0002500

2,3,4,5-tetrachloornitrobenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: 1,2,3,4-Tetrachloro-5-nitrobenzene @en
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-]
inchi: InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000036
inchikey: MTBYTWZDRVOMBR-UHFFFAOYSA-N
pubchem: 13428
cas number: 879-39-0
formula: C6HCl4NO2

adenosine-trifosfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 238
broader: CHEMONTID_0001619
notation: ATP
cas number: 56-65-5
iupac name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate @en
inchikey: ZKHQWZAMYRWXGA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C10H16N5O13P3

1,2,3,4,6,7,8-heptachloordibenzo-para-dioxine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
alternative label: 1,2,3,4,6,7,8-heptachloordibenzodioxine
alternative label: 1,2,3,4,6,7,8-heptachloordibenzo-p-dioxine
alternative label: 1,2,3,4,6,7,8-heptachloordibenzodioxine (hpcdd)
iupac name: 1,2,3,4,6,7,8-heptachlorooxanthrene @en
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
cas number: 35822-46-9
notation: PCDD73
broader: CHEMONTID_0000420
inchi: InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H
in scheme: Conceptschema Chemische Stoffen
inchikey: WCLNVRQZUKYVAI-UHFFFAOYSA-N
pubchem: 37270
is referenced by: LUC VI 002
formula: C12HCl7O2

2-trifluormethylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 2-(Trifluoromethyl)aniline @en
pubchem: 6922
smiles: C1=CC=C(C(=C1)C(F)(F)F)N
in scheme: Conceptschema Chemische Stoffen
cas number: 88-17-5
inchikey: VBLXCTYLWZJBKA-UHFFFAOYSA-N
notation: 2TFC1yAn
formula: C7H6F3N
broader: CHEMONTID_0004551
inchi: InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2

6-aminohexaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: 6AoC6azr
cas number: 87867-96-7
cas number: 93208-38-9
cas number: 60-32-2
cas number: 1319-82-0
iupac name: 6-aminohexanoic acid @en
broader: CHEMONTID_0003086
inchi: InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
formula: C6H13NO2
smiles: C(CCC(=O)O)CCN
pubchem: 564
inchikey: SLXKOJJOQWFEFD-UHFFFAOYSA-N

cefquinome
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: YWKJNRNSJKEFMK-KJXIDEHUSA-N
inchi: InChI=1S/C23H24N6O5S2/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33)/b27-16+/t17-,21-/m1/s1
pubchem: 9571084
in scheme: Conceptschema Chemische Stoffen
cas number: 84957-30-2
iupac name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en
broader: CHEMONTID_0000173
formula: C23H24N6O5S2

miconazolnitraat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)
pubchem: 68553
in scheme: Conceptschema Chemische Stoffen
cas number: 22832-87-7
cas number: 75319-48-1
inchikey: MCCACAIVAXEFAL-UHFFFAOYSA-N
notation: micnzNO3
iupac name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole; nitric acid @en
broader: CHEMONTID_0002542
formula: C18H15Cl4N3O4

tetrachloorftaalzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C8H2Cl4O4
iupac name: 3,4,5,6-tetrachlorophthalic acid @en
cas number: 632-58-6
cas number: 110471-67-5
inchikey: WZHHYIOUKQNLQM-UHFFFAOYSA-N
notation: tT4ClFtzr
pubchem: 12442
broader: CHEMONTID_0003097
inchi: InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)
in scheme: Conceptschema Chemische Stoffen

1,4-dinitrobenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
pubchem: 7492
inchi: InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
inchikey: FYFDQJRXFWGIBS-UHFFFAOYSA-N
smiles: C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]
notation: 14DNO2Ben
cas number: 100-25-4
iupac name: 1,4-Dinitrobenzene @en
formula: C6H4N2O4

dibutyl-3-hydroxybutylfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: LJBNHONKIDIOPD-UHFFFAOYSA-N
pubchem: 187696
cas number: 89197-69-3
in scheme: Conceptschema Chemische Stoffen
iupac name: dibutyl 3-hydroxybutyl phosphate @en
notation: DC4y3OHC4yPO
smiles: CCCCOP(=O)(OCCCC)OCCC(C)O
inchi: InChI=1S/C12H27O5P/c1-4-6-9-15-18(14,16-10-7-5-2)17-11-8-12(3)13/h12-13H,4-11H2,1-3H3
formula: C12H27O5P
broader: CHEMONTID_0003460

adiponitril
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: BTGRAWJCKBQKAO-UHFFFAOYSA-N
pubchem: 8128
cas number: 111-69-3
cas number: 68411-90-5
cas number: 68511-79-5
inchi: InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
notation: adpntl
iupac name: Hexanedinitrile @en
formula: C6H8N2
broader: CHEMONTID_0000362
smiles: C(CCC#N)CC#N
in scheme: Conceptschema Chemische Stoffen

2-methylheptaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 11594
cas number: 28777-67-5
cas number: 26635-64-3
cas number: 11070-05-6
cas number: 1281-99-8
cas number: 592-27-8
inchi: InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3
formula: C8H18
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
inchikey: JVSWJIKNEAIKJW-UHFFFAOYSA-N
smiles: CCCCCC(C)C
iupac name: 2-Methylheptane @en
notation: 2C1yC7a

rhenium 186
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: Re186
inchi: InChI=1S/Re/i1+0
inchikey: WUAPFZMCVAUBPE-IGMARMGPSA-N
smiles: [Re]
broader: CHEMONTID_0000426
iupac name: rhenium-186 @en
in scheme: Conceptschema Chemische Stoffen
cas number: 14998-63-1
formula: Re
pubchem: 161105

cis-9,12,15-octadecatrieenzuur methylester
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
smiles: CCC=CCC=CCC=CCCCCCCCC(=O)OC
pubchem: 5319706
in scheme: Conceptschema Chemische Stoffen
cas number: 301-00-8
inchikey: DVWSXZIHSUZZKJ-YSTUJMKBSA-N
formula: C19H32O2
notation: cC18aTzrC1yE
iupac name: methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate @en
broader: CHEMONTID_0000504

calciumchloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 10043-52-4
cas number: 14639-81-7
cas number: 139468-93-2
pubchem: 24854
inchikey: UXVMQQNJUSDDNG-UHFFFAOYSA-L
inchi: InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
broader: CHEMONTID_0000568
formula: CaCl2
notation: CaCl2
in scheme: Conceptschema Chemische Stoffen
iupac name: Calcium dichloride @en
smiles: [Cl-].[Cl-].[Ca+2]

1-aminonaftaleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: C1=CC=C2C(=C1)C=CC=C2N
cas number: 25168-10-9
cas number: 12262-09-8
cas number: 134-32-7
in scheme: Conceptschema Chemische Stoffen
inchikey: RUFPHBVGCFYCNW-UHFFFAOYSA-N
inchi: InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2
pubchem: 8640
formula: C10H9N
iupac name: naphthalen-1-amine @en
notation: 1AoNaf
broader: CHEMONTID_0000023

methacrifos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: NTAHCMPOMKHKEU-AATRIKPKSA-N
alternative label: trans-methacrifos
notation: tmethcfs
notation: methcfs
formula: C7H13O5PS
inchi: InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+
broader: CHEMONTID_0003384
smiles: CC(=COP(=S)(OC)OC)C(=O)OC
cas number: 62610-77-9
cas number: 30864-28-9
iupac name: ['methyl 3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate', 'methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate'] @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 3034435

furfurylalcohol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C5H6O2
cas number: 88161-36-8
cas number: 25212-86-6
cas number: 93793-62-5
cas number: 98-00-0
pubchem: 7361
alternative label: 2-furaanmethanol
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004144
is referenced by: LUC IV 000
is referenced by: LUC IV 009
comment: VLAR II bijl. 4.4.2
iupac name: furan-2-ylmethanol @en
notation: 2furC1ol
smiles: C1=COC(=C1)CO
inchikey: XPFVYQJUAUNWIW-UHFFFAOYSA-N
inchi: InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2

monoethanolamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: C(CO)N
pubchem: 700
in scheme: Conceptschema Chemische Stoffen
cas number: 141-43-5
cas number: 9007-33-4
iupac name: 2-aminoethanol @en
formula: C2H7NO
notation: MC2olAe
inchi: InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
inchikey: HZAXFHJVJLSVMW-UHFFFAOYSA-N
broader: CHEMONTID_0001897

1,2-epoxy-3-methylbutaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000159
notation: 12epOx3C1yC4
iupac name: (2S)-2-propan-2-yloxirane @en
inchikey: REYZXWIIUPKFTI-RXMQYKEDSA-N
smiles: CC(C)C1CO1
cas number: 1438-14-8
pubchem: 7577875
formula: C5H10O
inchi: InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1

1,2,3,7,8,9-hexachloordibenzofuran
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
alternative label: 1,2,3,7,8,9-hexachloordibenzofuraan (hxcdf)
alternative label: 1,2,3,7,8,9-hexachloordibenzofuraan
in scheme: Conceptschema Chemische Stoffen
pubchem: 51720
is referenced by: LUC VI 002
notation: PCDF124
formula: C12H2Cl6O
broader: CHEMONTID_0003029
inchikey: PYUSJFJVDVSXIU-UHFFFAOYSA-N
inchi: InChI=1S/C12H2Cl6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H
iupac name: 1,2,3,7,8,9-HEXACHLORODIBENZOFURAN @en
cas number: 72918-21-9

4-nitrodimethylaniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000036
smiles: CN(C)C1=CC=C(C=C1)[N+](=O)[O-]
formula: C8H10N2O2
in scheme: Conceptschema Chemische Stoffen
cas number: 508191-95-5
cas number: 100-23-2
pubchem: 7491
notation: 4NO2DC1yAn
inchi: InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3
inchikey: QJAIOCKFIORVFU-UHFFFAOYSA-N
iupac name: N,N-Dimethyl-4-nitroaniline @en

eicosamethylcyclodecasiloxaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: CDNNKGWZSNSADW-UHFFFAOYSA-N
pubchem: 519601
in scheme: Conceptschema Chemische Stoffen
notation: C20aC1yccDcs
cas number: 18772-36-6
iupac name: 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20-icosamethyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane @en
formula: C20H60O10Si10
broader: CHEMONTID_0004445

2-methoxyethylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3
cas number: 32718-56-2
cas number: 110-49-6
in scheme: Conceptschema Chemische Stoffen
smiles: CC(=O)OCCOC
formula: C5H10O3
iupac name: 2-Methoxyethyl acetate @en
inchikey: XLLIQLLCWZCATF-UHFFFAOYSA-N
pubchem: 8054
notation: 2C1oxC2yactt
broader: CHEMONTID_0001238

bensulfuron-methyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: bensfrnC1y
in scheme: Conceptschema Chemische Stoffen
cas number: 83055-99-6
cas number: 104466-83-3
inchikey: XMQFTWRPUQYINF-UHFFFAOYSA-N
iupac name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate @en
inchi: InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)
broader: CHEMONTID_0001350
pubchem: 54960
formula: C16H18N4O7S

samarium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: SAMARIUM @en
inchi: InChI=1S/Sm
cas number: 110123-52-9
cas number: 7440-19-9
in scheme: Conceptschema Chemische Stoffen
pubchem: 23951
notation: Sm
inchikey: KZUNJOHGWZRPMI-UHFFFAOYSA-N
formula: Sm
smiles: [Sm]
broader: CHEMONTID_0000429

benzylbenzoaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
notation: benzbzat
inchikey: SESFRYSPDFLNCH-UHFFFAOYSA-N
broader: CHEMONTID_0001350
cas number: 120-51-4
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
formula: C14H12O2
iupac name: Phenylmethyl benzoate @en
pubchem: 2345

progesteron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 8012-32-6
cas number: 753497-20-0
cas number: 257630-50-5
cas number: 8023-13-0
cas number: 57-83-0
inchikey: RJKFOVLPORLFTN-LEKSSAKUSA-N
pubchem: 5994
broader: CHEMONTID_0001468
in scheme: Conceptschema Chemische Stoffen
notation: progtrn
formula: C21H30O2
inchi: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
iupac name: (8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one @en

nonadecaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
notation: C19a
broader: CHEMONTID_0002500
iupac name: NONADECANE @en
formula: C19H40
cas number: 629-92-5
smiles: CCCCCCCCCCCCCCCCCCC
in scheme: Conceptschema Chemische Stoffen
pubchem: 12401
inchikey: LQERIDTXQFOHKA-UHFFFAOYSA-N

enalapril
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 75847-73-3
inchi: InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
in scheme: Conceptschema Chemische Stoffen
inchikey: GBXSMTUPTTWBMN-XIRDDKMYSA-N
iupac name: (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid @en
broader: CHEMONTID_0004830
pubchem: 5388962
notation: enlpl
formula: C20H28N2O5

4-formylaminoantipyrine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: WSJBSKRPKADYRQ-UHFFFAOYSA-N
cas number: 1672-58-8
notation: 4formAoatprn
broader: CHEMONTID_0002019
pubchem: 72666
formula: C12H13N3O2
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O
iupac name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)formamide @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)

tolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C7H8
in scheme: Conceptschema Chemische Stoffen
inchikey: YXFVVABEGXRONW-UHFFFAOYSA-N
pubchem: 1140
iupac name: methylbenzene @en
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 001
is referenced by: CMA 2 III A
inchi: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
cas number: 108-88-3
cas number: 50643-04-4
cas number: 3101-08-4
broader: CHEMONTID_0001091
comment: VLAR II bijl. 4.4.2
smiles: CC1=CC=CC=C1
notation: Tol

3,4-dimethylpyrazol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C5H8N2
in scheme: Conceptschema Chemische Stoffen
notation: 34DC1yprzl
inchikey: VQTVFIMEENGCJA-UHFFFAOYSA-N
broader: CHEMONTID_0000087
smiles: CC1=C(NN=C1)C
pubchem: 137735
cas number: 2820-37-3
iupac name: 3,4-dimethyl-2H-pyrazole @en
inchi: InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3H,1-2H3,(H,6,7)

3-methyl-2-pentanon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: 3C1y2C5on
broader: CHEMONTID_0000118
pubchem: 11262
iupac name: 3-METHYLPENTAN-2-ONE @en
cas number: 565-61-7
inchikey: UIHCLUNTQKBZGK-UHFFFAOYSA-N
formula: C6H12O
smiles: CCC(C)C(=O)C
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3

triclosan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: Tcsn
formula: C12H7Cl3O2
cas number: 88032-08-0
cas number: 112099-35-1
cas number: 3380-34-5
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004155
pubchem: 5564
inchi: InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
inchikey: XEFQLINVKFYRCS-UHFFFAOYSA-N
smiles: C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl
iupac name: 5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL @en

4-octyl-N-(4-octylfenyl)-benzeenamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3
broader: CHEMONTID_0000284
inchikey: QAPVYZRWKDXNDK-UHFFFAOYSA-N
iupac name: 4-Octyl-N-(4-octylphenyl)aniline @en
formula: C28H43N
cas number: 1336-54-5
cas number: 101-67-7
cas number: 26603-23-6
in scheme: Conceptschema Chemische Stoffen
pubchem: 7569
notation: 4C8yN4C8yFyB
alternative label: 4-octyl-n-(4-octylfenyl)-benzeenamine

p-tolueensulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 104-15-4
cas number: 126033-27-0
cas number: 144647-92-7
cas number: 128739-80-0
cas number: 114213-96-6
cas number: 25231-46-3
cas number: 156627-46-2
cas number: 100901-72-2
cas number: 402-47-1
cas number: 210357-81-6
notation: pTolsfzr
in scheme: Conceptschema Chemische Stoffen
inchikey: JOXIMZWYDAKGHI-UHFFFAOYSA-N
broader: CHEMONTID_0003278
formula: C7H8O3S
inchi: InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
iupac name: 4-Methylbenzenesulfonic acid @en
smiles: CC1=CC=C(C=C1)S(=O)(=O)O
pubchem: 6101

C.I. Solvent Yellow 3
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 97-56-3
cas number: 41576-40-3
cas number: 28676-13-3
broader: CHEMONTID_0003370
inchi: InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3
formula: C14H15N3
pubchem: 7340
iupac name: 2-methyl-4-(2-methylphenyl)diazenylaniline @en
inchikey: PFRYFZZSECNQOL-UHFFFAOYSA-N
smiles: CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C
in scheme: Conceptschema Chemische Stoffen
alternative label: c.i. solvent yellow 3
notation: cisyw3

chloorhexidinegluconaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14007-07-9
cas number: 18472-51-0
cas number: 12068-31-4
cas number: 124973-71-3
cas number: 151498-43-0
cas number: 40330-16-3
cas number: 60404-86-6
cas number: 60042-57-1
cas number: 51365-13-0
cas number: 82432-16-4
cas number: 105791-72-8
cas number: 52387-19-6
cas number: 150621-85-5
cas number: 52196-45-9
cas number: 23289-58-9
cas number: 21293-24-3
broader: CHEMONTID_0000215
pubchem: 29089
inchi: InChI=1S/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1
in scheme: Conceptschema Chemische Stoffen
iupac name: (1E)-2-[6-[[amino-[[amino-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[amino-[(4-chlorophenyl)amino]methylidene]guanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid @en
formula: C34H54Cl2N10O14
notation: clhxdngcnt
inchikey: YZIYKJHYYHPJIB-UUPCJSQJSA-N

chloorethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: HRYZWHHZPQKTII-UHFFFAOYSA-N
cas number: 68411-72-3
cas number: 16520-13-1
cas number: 68583-57-3
cas number: 75-00-3
cas number: 68909-11-5
formula: C2H5Cl
inchi: InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
notation: ClC2a
iupac name: Chloroethane @en
in scheme: Conceptschema Chemische Stoffen
smiles: CCCl
broader: CHEMONTID_0001516
pubchem: 6337

berkelium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7440-40-6
inchikey: PWVKJRSRVJTHTR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 23971
inchi: InChI=1S/Bk
broader: CHEMONTID_0000430
iupac name: BERKELIUM @en
formula: Bk
smiles: [Bk]
notation: Bk

2,6-dichloortolueen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: 26DClTol
formula: C7H6Cl2
cas number: 118-69-4
broader: CHEMONTID_0002564
iupac name: 1,3-dichloro-2-methylbenzene @en
pubchem: 8368
inchi: InChI=1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
inchikey: DMEDNTFWIHCBRK-UHFFFAOYSA-N
smiles: CC1=C(C=CC=C1Cl)Cl
in scheme: Conceptschema Chemische Stoffen

chloorbufam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)
notation: Clbfm
formula: C11H10ClNO2
cas number: 1967-16-4
smiles: CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl
in scheme: Conceptschema Chemische Stoffen
iupac name: but-3-yn-2-yl N-(3-chlorophenyl)carbamate @en
broader: CHEMONTID_0001099
pubchem: 16073
inchikey: ULBXWWGWDPVHAO-UHFFFAOYSA-N

2-hydroxyatrazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CCNC1=NC(=O)N=C(N1)NC(C)C
pubchem: 16553
formula: C8H15N5O
in scheme: Conceptschema Chemische Stoffen
inchikey: NFMIMWNQWAWNDW-UHFFFAOYSA-N
inchi: InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
alternative label: 2-hydroxy-atrazine
iupac name: 4-ethylamino-6-(propan-2-ylamino)-5H-1,3,5-triazin-2-one @en
cas number: 2163-68-0
notation: 2HOxatzne
broader: CHEMONTID_0004105

1-dodecanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 68551-07-5
cas number: 8032-09-5
cas number: 112-53-8
cas number: 68855-55-0
cas number: 8032-10-8
cas number: 8032-08-4
cas number: 8014-32-2
cas number: 1322-35-6
inchi: InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
smiles: CCCCCCCCCCCCO
inchikey: LQZZUXJYWNFBMV-UHFFFAOYSA-N
notation: 1C12ol
in scheme: Conceptschema Chemische Stoffen
formula: C12H26O
pubchem: 8193
broader: CHEMONTID_0001334
iupac name: dodecan-1-ol @en

ethylparathion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
iupac name: diethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane @en
broader: CHEMONTID_0004748
cas number: 110616-89-2
cas number: 11111-91-4
cas number: 56-38-2
cas number: 8057-70-3
notation: C2yprton
formula: C10H14NO5PS
in scheme: Conceptschema Chemische Stoffen
alternative label: parathion-ethyl
inchikey: LCCNCVORNKJIRZ-UHFFFAOYSA-N
pubchem: 991
smiles: CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]

d-trans-allethrin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8018-12-0
cas number: 6385-68-8
cas number: 3972-20-1
cas number: 18877-88-8
cas number: 22556-34-9
cas number: 22467-86-3
cas number: 84030-86-4
cas number: 25406-22-8
cas number: 28434-00-6
cas number: 28991-27-7
cas number: 18793-35-6
cas number: 584-79-2
cas number: 25406-25-1
cas number: 71211-88-6
cas number: 207562-36-5
cas number: 34624-48-1
cas number: 24313-23-3
cas number: 137-98-4
cas number: 23453-08-9
cas number: 71119-51-2
cas number: 28057-48-9
cas number: 20301-61-5
cas number: 22431-63-6
cas number: 6385-67-7
cas number: 42534-61-2
cas number: 25406-24-0
formula: C19H26O3
inchi: InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3
inchikey: ZCVAOQKBXKSDMS-UHFFFAOYSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
alternative label: allethrin
notation: alltn
notation: dtalltn
iupac name: (2-methyl-4-oxo-3-prop-2-enyl-1-cyclopent-2-enyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
pubchem: 11442

acrylzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
alternative label: 2-propeenzuur
cas number: 104922-39-6
cas number: 81031-52-9
cas number: 55927-87-2
cas number: 101360-15-0
cas number: 174594-09-3
cas number: 29862-29-1
cas number: 54990-82-8
cas number: 59233-19-1
cas number: 105913-47-1
cas number: 11132-69-7
cas number: 37241-23-9
cas number: 51142-25-7
cas number: 82446-45-5
cas number: 56747-65-0
cas number: 54578-44-8
cas number: 39341-22-5
cas number: 9003-03-6
cas number: 71767-27-6
cas number: 65742-16-7
cas number: 125857-68-3
cas number: 54182-57-9
cas number: 25987-55-7
cas number: 88650-89-9
cas number: 71767-28-7
cas number: 79-10-7
cas number: 87913-02-8
cas number: 9007-20-9
cas number: 165724-08-3
inchikey: NIXOWILDQLNWCW-UHFFFAOYSA-N
notation: 2C3ezr
pubchem: 6581
broader: CHEMONTID_0004451
smiles: C=CC(=O)O
inchi: InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
in scheme: Conceptschema Chemische Stoffen
iupac name: prop-2-enoic acid @en
formula: C3H4O2
comment: VLAREM II bijlage 4.4.2

fenantreen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
broader: CHEMONTID_0000025
is referenced by: LUC VI 001
formula: C14H10
cas number: 85-01-8
inchikey: YNPNZTXNASCQKK-UHFFFAOYSA-N
notation: Fen
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C2C(=C1)C=CC3=CC=CC=C32
iupac name: Phenanthrene @en
pubchem: 995

2,4-dichloorfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 8449
iupac name: 2,4-Dichlorophenol @en
formula: C6H4Cl2O
inchikey: HFZWRUODUSTPEG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 120-83-2
smiles: C1=CC(=C(C=C1Cl)Cl)O
inchi: InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
broader: CHEMONTID_0002564
notation: 24DClFol

arseen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7784-42-1
cas number: 39277-51-5
cas number: 7440-38-2
cas number: 55624-62-9
is referenced by: LUC I 002
is referenced by: LUC III 010
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II (D5) 'arseen en arseenverbindingen, uitgedrukt als arseen (As)'
comment: VLAR (D2) 'arseen'
comment: VLAR III (D3, diverse art) 'As'
comment: VLAR III (D3) 'AsH3'
comment: VLAR II bijl. 4.4.2 'arseen en zijn verbindingen, uitgedrukt in As'
comment: VLAR bijl. II 2.5.8 'arseen'
comment: VLAREM II bijlage 4.4.2
comment: VLAR III (D3) 'Arseen en de verbindingen daarvan, uitgedrukt als arseen (As)'
definition: arseen en arseenverbindingen, uitgedrukt als arseen (As)
pubchem: 5359596
formula: As
notation: As
broader: CHEMONTID_0000431
alternative label: arseen (As)
iupac name: Arsenic @en
inchikey: RQNWIZPPADIBDY-UHFFFAOYSA-N
inchi: InChI=1S/As
smiles: [As]

3-chloor-n,n-dimethylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 23285
formula: C8H10ClN
cas number: 6848-13-1
inchikey: CHHCCYVOJBBCIY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
alternative label: 3-chloor-N,N-dimethylaniline
iupac name: 3-Chloro-N,N-dimethylaniline @en
smiles: CN(C)C1=CC(=CC=C1)Cl
broader: CHEMONTID_0003901
inchi: InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
notation: 3ClNNDC1yAn

bis(2-methoxyethyl)ether
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 111-96-6
cas number: 142939-39-7
cas number: 70992-86-8
cas number: 54631-70-8
smiles: COCCOCCOC
notation: bis2C1oxC2yE
inchikey: SBZXBUIDTXKZTM-UHFFFAOYSA-N
inchi: InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001167
pubchem: 8150
iupac name: 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE @en
formula: C6H14O3

clonazepam
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: clonzpm
in scheme: Conceptschema Chemische Stoffen
smiles: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
iupac name: 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one @en
broader: CHEMONTID_0004097
formula: C15H10ClN3O3
pubchem: 2802
inchi: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
cas number: 106955-87-7
cas number: 1622-61-3
inchikey: DGBIGWXXNGSACT-UHFFFAOYSA-N

2,4-dioctylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: RLMZELPHRPTNJX-UHFFFAOYSA-N
notation: 24DC8yFol
inchi: InChI=1S/C22H38O/c1-3-5-7-9-11-13-15-20-17-18-22(23)21(19-20)16-14-12-10-8-6-4-2/h17-19,23H,3-16H2,1-2H3
pubchem: 74548
smiles: CCCCCCCCC1=CC(=C(C=C1)O)CCCCCCCC
cas number: 1807-29-0
broader: CHEMONTID_0004646
formula: C22H38O
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,4-Dioctylphenol @en

acenaftyleen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
iupac name: Acenaphthylene @en
cas number: 208-96-8
cas number: 34493-60-2
is referenced by: LUC VI 001
is referenced by: WAC IV A 002
formula: C12H8
inchikey: HXGDTGSAIMULJN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: AcNy
pubchem: 9161
broader: CHEMONTID_0004812
smiles: C1=CC2=C3C(=C1)C=CC3=CC=C2

cyhalofop-butyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1
inchikey: TYIYMOAHACZAMQ-CQSZACIVSA-N
broader: CHEMONTID_0004155
formula: C20H20FNO4
notation: cyhlfC4y
pubchem: 180089
in scheme: Conceptschema Chemische Stoffen
cas number: 122008-85-9
iupac name: butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate @en

sertraline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: VGKDLMBJGBXTGI-SJCJKPOMSA-N
formula: C17H17Cl2N
pubchem: 68617
in scheme: Conceptschema Chemische Stoffen
cas number: 79617-96-2
broader: CHEMONTID_0000049
notation: sertlne
inchi: InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
iupac name: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine @en

aspirine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
cas number: 2349-94-2
cas number: 98201-60-6
cas number: 11126-37-7
cas number: 26914-13-6
cas number: 50-78-2
cas number: 11126-35-5
notation: asprne
formula: C9H8O4
broader: CHEMONTID_0004577
pubchem: 2244
inchikey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
iupac name: 2-acetyloxybenzoic acid @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC(=O)OC1=CC=CC=C1C(=O)O

4,4'-diaminodifenylether
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: HLBLWEWZXPIGSM-UHFFFAOYSA-N
cas number: 101-80-4
cas number: 121509-79-3
iupac name: 4-(4-aminophenoxy)aniline @en
smiles: C1=CC(=CC=C1N)OC2=CC=C(C=C2)N
notation: 44DAoDFyEtr
inchi: InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
broader: CHEMONTID_0004155
pubchem: 7579
formula: C12H12N2O
in scheme: Conceptschema Chemische Stoffen

trans-1-chloor-1-propeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 36472-34-1
cas number: 16136-85-9
iupac name: ['1-chloroprop-1-ene', '(E)-1-chloroprop-1-ene'] @en
formula: C3H5Cl
notation: t1Cl1C3e
inchikey: OWXJKYNZGFSVRC-NSCUHMNNSA-N
inchi: InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+
broader: CHEMONTID_0002863
pubchem: 5284364
in scheme: Conceptschema Chemische Stoffen
smiles: CC=CCl

chloorfluazuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: Clfazrn
pubchem: 91708
broader: CHEMONTID_0004513
in scheme: Conceptschema Chemische Stoffen
cas number: 71422-67-8
formula: C20H9Cl3F5N3O3
iupac name: N-[[3,5-dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamide @en
inchikey: UISUNVFOGSJSKD-UHFFFAOYSA-N

heneicosaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: FNAZRRHPUDJQCJ-UHFFFAOYSA-N
pubchem: 12403
broader: CHEMONTID_0002500
notation: C21a
formula: C21H44
cas number: 629-94-7
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCCCCCC
iupac name: Henicosane @en

pyrazol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: WTKZEGDFNFYCGP-UHFFFAOYSA-N
broader: CHEMONTID_0000087
in scheme: Conceptschema Chemische Stoffen
iupac name: 1H-Pyrazole @en
notation: pyrzl
pubchem: 1048
cas number: 288-13-1
cas number: 116421-36-4
cas number: 53153-43-8
formula: C3H4N2
inchi: InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
smiles: C1=CNN=C1

abamectine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: abmtne
formula: C95H142O28
inchi: InChI=1S/C48H72O14.C47H70O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3;11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25?,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1
pubchem: 6435890
broader: CHEMONTID_0000147
cas number: 71751-41-2
cas number: 86753-29-9
iupac name: (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one @en
inchikey: IBSREHMXUMOFBB-MVGRHBATSA-N

N-isopropylbutylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: OKRJGUKZYSEUOY-UHFFFAOYSA-N
pubchem: 123480
in scheme: Conceptschema Chemische Stoffen
formula: C7H17N
inchi: InChI=1S/C7H17N/c1-4-5-6-8-7(2)3/h7-8H,4-6H2,1-3H3
iupac name: N-propan-2-ylbutan-1-amine @en
cas number: 39099-23-5
smiles: CCCCNC(C)C
alternative label: n-isopropylbutylamine
broader: CHEMONTID_0002228
notation: NiC3yC4yAe

memantine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000469
cas number: 51052-62-1
cas number: 19982-08-2
smiles: CC12CC3CC(C1)(CC(C3)(C2)N)C
iupac name: 3,5-dimethyladamantan-1-amine @en
notation: memtne
pubchem: 4054
inchikey: BUGYDGFZZOZRHP-UHFFFAOYSA-N
formula: C12H21N

pirimisulfuron-methyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 86209-51-0
cas number: 179765-69-6
notation: pirmsfrnC1y
inchikey: ZTYVMAQSHCZXLF-UHFFFAOYSA-N
formula: C15H12F4N4O7S
pubchem: 101525
broader: CHEMONTID_0004705
iupac name: methyl 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate @en

2,3-epoxypropyltrimethylammoniumchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: C[N+](C)(C)CC1CO1.[Cl-]
cas number: 51838-31-4
cas number: 3033-77-0
cas number: 129829-22-7
cas number: 37229-18-8
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
iupac name: trimethyl-(oxiran-2-ylmethyl)azanium chloride @en
notation: 23epOxC3yTC1
inchi: InChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
formula: C6H14ClNO
pubchem: 18205
inchikey: PUVAFTRIIUSGLK-UHFFFAOYSA-M

2-(1-naftyl)aceetamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C1=CC=C2C(=C1)C=CC=C2CC(=O)N
cas number: 31093-43-3
cas number: 86-86-2
in scheme: Conceptschema Chemische Stoffen
formula: C12H11NO
pubchem: 6861
iupac name: 2-naphthalen-1-ylacetamide @en
notation: 21ntacAd
inchi: InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)
broader: CHEMONTID_0000023
inchikey: XFNJVKMNNVCYEK-UHFFFAOYSA-N

dicamba-natriumzout
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C8H5Cl2NaO3
iupac name: Sodium 3,6-dichloro-2-methoxybenzoate @en
inchikey: HLZCHRAMVPCKDU-UHFFFAOYSA-M
broader: CHEMONTID_0002345
notation: DcbNazt
smiles: COC1=C(C=CC(=C1C(=O)[O-])Cl)Cl.[Na+]
pubchem: 16119
cas number: 1982-69-0
inchi: InChI=1S/C8H6Cl2O3.Na/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1

tebuthiuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC
cas number: 34014-18-1
formula: C9H16N4OS
iupac name: 1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea @en
broader: CHEMONTID_0004668
notation: tebturn
inchi: InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)
in scheme: Conceptschema Chemische Stoffen
pubchem: 5383
inchikey: HBPDKDSFLXWOAE-UHFFFAOYSA-N

1,2-dimethoxypropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3
inchikey: LEEANUDEDHYDTG-UHFFFAOYSA-N
formula: C5H12O2
notation: 12DC1oxC3a
broader: CHEMONTID_0001167
smiles: CC(COC)OC
pubchem: 24509
cas number: 7778-85-0
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2-DIMETHOXYPROPANE @en

fluroxypyr-meptyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003971
notation: fluOxpmtl
in scheme: Conceptschema Chemische Stoffen
iupac name: octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate @en
inchikey: OLZQTUCTGLHFTQ-UHFFFAOYSA-N
formula: C15H21Cl2FN2O3
pubchem: 54745
cas number: 81406-37-3

3-chloor-2-methyl-1-propeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 563-47-3
broader: CHEMONTID_0001516
notation: 3Cl2C1y1C3e
iupac name: 3-Chloro-2-methylprop-1-ene @en
smiles: CC(=C)CCl
inchi: InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3
pubchem: 11241
in scheme: Conceptschema Chemische Stoffen
formula: C4H7Cl
inchikey: OHXAOPZTJOUYKM-UHFFFAOYSA-N

1,2-dichlooretheen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 540-59-0
cas number: 43695-79-0
cas number: 156-60-5
iupac name: ['1,2-Dichloroethene', '(E)-1,2-Dichloroethene'] @en
alternative label: 1,2-dichloorethyleen
alternative label: 1,2-dichlooretheen,trans
alternative label: 1,2-dichlooretheen, cis
alternative label: trans-1,2-dichlooretheen
notation: t12DClC2e
notation: 12DClC2e
inchi: InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 011
inchikey: KFUSEUYYWQURPO-OWOJBTEDSA-N
comment: VLAREM II bijlage 4.4.2
formula: C2H2Cl2
smiles: C(=CCl)Cl
pubchem: 638186

octylfenolpolyethoxylaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0002341
pubchem: 94543
in scheme: Conceptschema Chemische Stoffen
cas number: 51437-89-9
cas number: 26636-32-8
smiles: CCCCCCCCC1=CC=C(C=C1)OCCO
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-14-13-17/h9-12,17H,2-8,13-14H2,1H3
formula: C16H26O2
iupac name: 2-(4-octylphenoxy)ethanol @en
inchikey: BHNQPLPANNDEGL-UHFFFAOYSA-N

carbonaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: CO3
in scheme: Conceptschema Chemische Stoffen
iupac name: carbonate @en
cas number: 3812-32-6
inchikey: BVKZGUZCCUSVTD-UHFFFAOYSA-L
broader: CHEMONTID_0001521
smiles: C(=O)([O-])[O-]
pubchem: 19660
inchi: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
formula: CO3-2

benzyldimethyloctylammoniumchloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: benzDC1yC8yl
cas number: 959-55-7
formula: C17H30ClN
in scheme: Conceptschema Chemische Stoffen
iupac name: benzyl-dimethyl-octylazanium chloride @en
inchikey: PXFDQFDPXWHEEP-UHFFFAOYSA-M
broader: CHEMONTID_0003977
pubchem: 13740
smiles: CCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
inchi: InChI=1S/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1

nonylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: XPCLSVISJWLKJE-UHFFFAOYSA-M
notation: C9yFol
iupac name: potassium 2-nonylphenolate @en
is referenced by: WAC IV A 001
is referenced by: WAC IV A 005
inchi: InChI=1S/C15H24O.K/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h9-10,12-13,16H,2-8,11H2,1H3;/q;+1/p-1
broader: CHEMONTID_0002536
formula: C15H23KO
smiles: CCCCCCCCCC1=CC=CC=C1[O-].[K+]
in scheme: Conceptschema Chemische Stoffen
cas number: 27936-43-2
cas number: 25154-52-3
pubchem: 168739

pymetrozine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: pymtzne
smiles: CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2
iupac name: 6-methyl-4-(pyridin-3-ylmethylideneamino)-2,5-dihydro-1,2,4-triazin-3-one @en
cas number: 123312-89-0
inchi: InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+
formula: C10H11N5O
pubchem: 9576037
broader: CHEMONTID_0004107
inchikey: QHMTXANCGGJZRX-WUXMJOGZSA-N
in scheme: Conceptschema Chemische Stoffen

polybuteen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CCC=C
cas number: 172345-47-0
cas number: 25038-50-0
cas number: 106-98-9
cas number: 61788-35-0
cas number: 9003-28-5
cas number: 33004-02-3
cas number: 25167-67-3
cas number: 54366-07-3
cas number: 1735-75-7
in scheme: Conceptschema Chemische Stoffen
pubchem: 7844
inchikey: VXNZUUAINFGPBY-UHFFFAOYSA-N
broader: CHEMONTID_0004476
notation: polC4e
iupac name: But-1-ene @en
alternative label: 1-buteen
inchi: InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
formula: C4H8

1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: GUVUOGQBMYCBQP-UHFFFAOYSA-N
notation: 13DC1yT4H21H
broader: CHEMONTID_0000291
formula: C6H12N2O
in scheme: Conceptschema Chemische Stoffen
smiles: CN1CCCN(C1=O)C
cas number: 7226-23-5
iupac name: 1,3-dimethyl-1,3-diazinan-2-one @en
pubchem: 81646
inchi: InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3
alternative label: 1,3-dimethyl-3,4,5,6-tetrahydro-2(1h)-pyrimidinon

tris(2-chloor-1-(chloormethyl)ethyl)fosfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: tris2Cl1ClC1
inchi: InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2
broader: CHEMONTID_0003460
iupac name: tris(1,3-dichloropropan-2-yl) phosphate @en
inchikey: ASLWPAWFJZFCKF-UHFFFAOYSA-N
alternative label: tris-(1,3-dichloor-2-propyl)-fosfaat
in scheme: Conceptschema Chemische Stoffen
formula: C9H15Cl6O4P
pubchem: 26177
smiles: C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl
cas number: 13674-87-8

chloorthiofos I
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 21923-23-9
cas number: 51052-59-6
pubchem: 30859
alternative label: chloorthiofos i
in scheme: Conceptschema Chemische Stoffen
notation: CltofsI
broader: CHEMONTID_0004748
iupac name: (2,5-dichloro-4-methylsulfanylphenoxy)-diethoxy-sulfanylidenephosphorane @en
inchikey: JAZJVWLGNLCNDD-UHFFFAOYSA-N
formula: C11H15Cl2O3PS2
smiles: CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)SC)Cl

trioxymethyleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C3H6O3
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
cas number: 110-88-3
cas number: 113783-48-5
iupac name: 1,3,5-Trioxane @en
inchikey: BGJSXRVXTHVRSN-UHFFFAOYSA-N
notation: TOxC1ye
broader: CHEMONTID_0001853
smiles: C1OCOCO1
pubchem: 8081

1,2-benzeendiamine dihydrochloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C6H10Cl2N2
notation: 12BenDAeDHCl
cas number: 615-28-1
inchikey: RIIWUGSYXOBDMC-UHFFFAOYSA-N
smiles: C1=CC=C(C(=C1)N)N.Cl.Cl
inchi: InChI=1S/C6H8N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h1-4H,7-8H2;2*1H
in scheme: Conceptschema Chemische Stoffen
iupac name: benzene-1,2-diamine dihydrochloride @en
broader: CHEMONTID_0000284
pubchem: 11990

pentabroombenzylalcohol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C7H3Br5O
inchi: InChI=1S/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
smiles: C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O
in scheme: Conceptschema Chemische Stoffen
pubchem: 2733946
inchikey: KKWHDMUCBWSKGL-UHFFFAOYSA-N
cas number: 79415-41-1
broader: CHEMONTID_0000033
iupac name: (2,3,4,5,6-pentabromophenyl)methanol @en

C14-C18 en C16-C18 onverzadigd alkylamine-ethoxylaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 6437490
smiles: CCOCCCCCCC=CCCCCCCCCN
broader: CHEMONTID_0001167
formula: C18H37NO
inchikey: OOBSUSUFVSSVFU-GQCTYLIASA-N
iupac name: (E)-16-ethoxyhexadec-9-en-1-amine @en
cas number: 68155-39-5
notation: C14C18C16C18
in scheme: Conceptschema Chemische Stoffen
alternative label: c14-c18 en c16-c18 onverzadigd alkylamine-ethoxylaat

alfa-linoleenzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: DTOSIQBPPRVQHS-IUQGRGSQSA-N
cas number: 1955-33-5
cas number: 85392-75-2
cas number: 463-40-1
cas number: 28290-79-1
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+
broader: CHEMONTID_0000504
smiles: CCC=CCC=CCC=CCCCCCCCC(=O)O
pubchem: 5282822
in scheme: Conceptschema Chemische Stoffen
notation: alnlzr
iupac name: ['Octadeca-9,12,15-trienoic acid', '(9E,12E,15E)-octadeca-9,12,15-trienoic acid'] @en

1,2-dichloortetrafluorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8
inchikey: DDMOUSALMHHKOS-UHFFFAOYSA-N
formula: C2Cl2F4
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2-Dichloro-1,1,2,2-tetrafluoroethane @en
broader: CHEMONTID_0004521
pubchem: 6429
cas number: 1320-37-2
cas number: 76-14-2
notation: CFK114
smiles: C(C(F)(F)Cl)(F)(F)Cl

monoethylhexylftalaat (MEHP)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 20393
inchi: InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)
inchikey: DJDSLBVSSOQSLW-UHFFFAOYSA-N
iupac name: 2-(2-ethylhexoxycarbonyl)benzoic acid @en
alternative label: monoethylhexylftalaat (mehp)
cas number: 4376-20-9
notation: MEHP
broader: CHEMONTID_0001350
smiles: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O
formula: C16H22O4
in scheme: Conceptschema Chemische Stoffen

fluazinam
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: fluaznm
cas number: 79622-59-6
cas number: 113015-31-9
pubchem: 91731
formula: C13H4Cl2F6N4O4
in scheme: Conceptschema Chemische Stoffen
inchikey: UZCGKGPEKUCDTF-UHFFFAOYSA-N
smiles: C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
iupac name: 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine @en
broader: CHEMONTID_0004551

osmium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: Os
inchi: InChI=1S/Os
broader: CHEMONTID_0000426
inchikey: SYQBFIAQOQZEGI-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 23937
cas number: 7440-04-2
smiles: [Os]
notation: Os
iupac name: OSMIUM @en

hexachloorfeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8054-98-6
cas number: 139411-96-4
cas number: 70-30-4
broader: CHEMONTID_0000369
iupac name: 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol @en
pubchem: 3598
formula: C13H6Cl6O2
inchi: InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
inchikey: ACGUYXCXAPNIKK-UHFFFAOYSA-N
notation: HxClfn
in scheme: Conceptschema Chemische Stoffen

rhodanine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 8860
inchi: InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
iupac name: 2-sulfanylidene-1,3-thiazolidin-4-one @en
formula: C3H3NOS2
notation: rhodnne
smiles: C1C(=O)N=C(S1)S
cas number: 38895-62-4
cas number: 6913-23-1
cas number: 141-84-4
broader: CHEMONTID_0001923
inchikey: KIWUVOGUEXMXSV-UHFFFAOYSA-N

2,4-dichloortolueen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 7254
iupac name: 2,4-Dichloro-1-methylbenzene @en
broader: CHEMONTID_0002564
formula: C7H6Cl2
inchikey: FUNUTBJJKQIVSY-UHFFFAOYSA-N
notation: 24DClTol
inchi: InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
smiles: CC1=C(C=C(C=C1)Cl)Cl
cas number: 95-73-8

octadecaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: Octadecanoic acid @en
broader: CHEMONTID_0002949
pubchem: 5281
cas number: 8039-52-9
cas number: 82497-27-6
cas number: 134503-33-6
cas number: 8039-53-0
cas number: 8039-51-8
cas number: 57-11-4
cas number: 30399-84-9
cas number: 8037-40-9
cas number: 68937-76-8
cas number: 57485-56-0
cas number: 8023-06-1
cas number: 8037-83-0
cas number: 8013-28-3
cas number: 8039-54-1
cas number: 39390-61-9
cas number: 58392-66-8
cas number: 126539-56-8
cas number: 609343-71-7
cas number: 85404-83-7
notation: C18azr
formula: C18H36O2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
smiles: CCCCCCCCCCCCCCCCCC(=O)O
inchikey: QIQXTHQIDYTFRH-UHFFFAOYSA-N

perfluorpentaansulfonzuur (pfpes)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C5HF11O3S
broader: CHEMONTID_0003961
alternative label: perfluor-1-pentaansulfonzuur
alternative label: perfluor-n-pentaansulfonzuur
alternative label: perfluor-n-pentaansulfonzuur (pfpes)
inchikey: ACEKLXZRZOWKRY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid @en
notation: PFPeS
notation: PFC5asfzr
inchi: InChI=1S/C5HF11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H,17,18,19)
pubchem: 75922
cas number: 2706-91-4

som 1,2,5,6,9,10-hexabroomcyclododecaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C12H18Br6
notation: sHBCD
alternative label: hexabroomcyclododecaan (hbcd)
alternative label: hexabroomcyclododecaan
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,5,6,9,10-HEXABROMOCYCLODODECANE @en
cas number: 3194-55-6
cas number: 23774-70-1
inchikey: DEIGXXQKDWULML-UHFFFAOYSA-N
pubchem: 18529
inchi: InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2
broader: CHEMONTID_0001515
smiles: C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br

fosfor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000434
pubchem: 5462309
is referenced by: WAC III C 010
iupac name: Phosphorus @en
smiles: [P]
in scheme: Conceptschema Chemische Stoffen
formula: P
inchikey: OAICVXFJPJFONN-UHFFFAOYSA-N
inchi: InChI=1S/P
cas number: 7723-14-0

4-methoxybenzaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 4C1oxbzAh
iupac name: 4-Methoxybenzaldehyde @en
in scheme: Conceptschema Chemische Stoffen
cas number: 26249-15-0
cas number: 68894-36-0
cas number: 123-11-5
cas number: 50984-52-6
pubchem: 31244
inchi: InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
smiles: COC1=CC=C(C=C1)C=O
broader: CHEMONTID_0000321
inchikey: ZRSNZINYAWTAHE-UHFFFAOYSA-N
formula: C8H8O2

3,5-dimethylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 108-68-9
cas number: 50356-23-5
notation: 35DC1yFol
iupac name: 3,5-Dimethylphenol @en
inchi: InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
smiles: CC1=CC(=CC(=C1)O)C
pubchem: 7948
broader: CHEMONTID_0001273
formula: C8H10O
in scheme: Conceptschema Chemische Stoffen
inchikey: TUAMRELNJMMDMT-UHFFFAOYSA-N

glimepiride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C24H34N4O5S
cas number: 93479-97-1
notation: glimprde
inchikey: WIGIZIANZCJQQY-UHFFFAOYSA-N
inchi: InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
pubchem: 3476

6-fenyldodecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2719-62-2
inchikey: ZYHJQFMTTFCBKH-UHFFFAOYSA-N
iupac name: dodecan-6-ylbenzene @en
smiles: CCCCCCC(CCCCC)C1=CC=CC=C1
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 6FyC12a
inchi: InChI=1S/C18H30/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3
pubchem: 17629
formula: C18H30

bis(2-chloorethyl)ethenylfosfonaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2
formula: C6H11Cl2O3P
in scheme: Conceptschema Chemische Stoffen
cas number: 115-98-0
cas number: 122681-86-1
cas number: 53569-58-7
pubchem: 8296
inchikey: LHHMNJZNWUJFOC-UHFFFAOYSA-N
iupac name: 1-[bis(2-chloroethoxy)phosphoryl]ethene @en
notation: bis2ClC2yetn
smiles: C=CP(=O)(OCCCl)OCCCl
broader: CHEMONTID_0003893

cis-13-Docosenamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: c13C22eAd
smiles: CCCCCCCCC=CCCCCCCCCCCCC(=O)N
iupac name: (Z)-Docos-13-enamide @en
formula: C22H43NO
inchikey: UAUDZVJPLUQNMU-KTKRTIGZSA-N
cas number: 112-84-5
cas number: 116749-29-2
cas number: 80399-99-1
cas number: 93050-58-9
in scheme: Conceptschema Chemische Stoffen
alternative label: cis-13-docosenamide
broader: CHEMONTID_0000331
pubchem: 5365371

2-broom-1-(4-hydroxyfenyl)ethaan-1-on
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: LJYOFQHKEWTQRH-UHFFFAOYSA-N
formula: C8H7BrO2
notation: 2Br14HOFyC2a
iupac name: 2-bromo-1-(4-hydroxyphenyl)ethanone @en
in scheme: Conceptschema Chemische Stoffen
cas number: 2491-38-5
inchi: InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2
pubchem: 4964
broader: CHEMONTID_0004298
smiles: C1=CC(=CC=C1C(=O)CBr)O

promecarb
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 31677-56-2
cas number: 2631-37-0
cas number: 4111-89-1
pubchem: 17516
notation: promcb
iupac name: (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate @en
formula: C12H17NO2
inchikey: DTAPQAJKAFRNJB-UHFFFAOYSA-N
inchi: InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
broader: CHEMONTID_0004640
smiles: CC1=CC(=CC(=C1)OC(=O)NC)C(C)C
in scheme: Conceptschema Chemische Stoffen

osmium tetraoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/4O.Os
cas number: 7446-13-1
cas number: 12060-19-4
cas number: 20816-12-0
notation: OsT4O
smiles: O=[Os](=O)(=O)=O
formula: O4Os
inchikey: VUVGYHUDAICLFK-UHFFFAOYSA-N
pubchem: 30318
iupac name: tetraoxoosmium @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000538

chlooramfenicol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 56-75-7
cas number: 579-51-1
pubchem: 298
formula: C11H12Cl2N2O5
broader: CHEMONTID_0000036
smiles: C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
inchikey: WIIZWVCIJKGZOK-UHFFFAOYSA-N
iupac name: 2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide @en
notation: Clafncl

natriumcyanide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 8929
broader: CHEMONTID_0000525
cas number: 25596-52-5
cas number: 143-33-9
cas number: 13998-03-3
inchi: InChI=1S/CN.Na/c1-2;/q-1;+1
notation: NaCN
formula: CNNa
smiles: [C-]#N.[Na+]
in scheme: Conceptschema Chemische Stoffen
inchikey: MNWBNISUBARLIT-UHFFFAOYSA-N
iupac name: Sodium cyanide @en

natriumcarbonaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 10340
inchi: InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
cas number: 1332-57-6
cas number: 497-19-8
formula: CNa2O3
broader: CHEMONTID_0001521
iupac name: Disodium carbonate @en
smiles: C(=O)([O-])[O-].[Na+].[Na+]
in scheme: Conceptschema Chemische Stoffen
inchikey: CDBYLPFSWZWCQE-UHFFFAOYSA-L
notation: Na2CO3

diltiazem
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 39186
in scheme: Conceptschema Chemische Stoffen
formula: C22H26N2O4S
notation: diltazm
inchikey: HSUGRBWQSSZJOP-RTWAWAEBSA-N
broader: CHEMONTID_0000317
cas number: 42399-41-7
inchi: InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
iupac name: [(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate @en

isopropenylbenzeen (alfa-methylstyreen)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II bijl. 4.4.2
inchi: InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
iupac name: prop-1-en-2-ylbenzene @en
cas number: 42612-14-6
cas number: 25014-31-7
cas number: 98-83-9
is referenced by: LUC IV 001
is referenced by: LUC IV 000
is referenced by: LUC IV 011
smiles: CC(=C)C1=CC=CC=C1
inchikey: XYLMUPLGERFSHI-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C9H10
notation: aC1ysrn
alternative label: alfa-methylstyreen
broader: CHEMONTID_0000045
pubchem: 7407

quetiapine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 111974-69-7
broader: CHEMONTID_0000055
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
notation: quetpne
inchikey: URKOMYMAXPYINW-UHFFFAOYSA-N
formula: C21H25N3O2S
pubchem: 5002
iupac name: 2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol @en

citronellol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 106-22-9
cas number: 1117-61-9
formula: C10H20O
smiles: CC(CCC=C(C)C)CCO
inchi: InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
notation: citnll
in scheme: Conceptschema Chemische Stoffen
iupac name: (3R)-3,7-dimethyloct-6-en-1-ol @en
pubchem: 101977
inchikey: QMVPMAAFGQKVCJ-SNVBAGLBSA-N
broader: CHEMONTID_0001127

tetrabroomdifenylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6H
iupac name: 1,2,3-tribromo-4-(4-bromophenoxy)benzene @en
broader: CHEMONTID_0001845
formula: C12H6Br4O
pubchem: 38386
cas number: 40088-47-9
cas number: 115633-92-6
cas number: 82458-12-6
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=CC=C1OC2=C(C(=C(C=C2)Br)Br)Br)Br
inchikey: ARERIMFZYPFJAV-UHFFFAOYSA-N

chloorquinedifosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine; phosphoric acid @en
cas number: 50-63-5
cas number: 6384-82-3
cas number: 69698-56-2
formula: C18H32ClN3O8P2
inchikey: QKICWELGRMTQCR-UHFFFAOYSA-N
pubchem: 64927
notation: ClqnDFO4
smiles: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O
inchi: InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)
broader: CHEMONTID_0004537

perfluor-n-nonaansulfonzuur (pfns)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: PFNS
notation: PFC9asfzr
alternative label: perfluornonaan-1-sulfonzuur
alternative label: perfluor-n-nonaansulfonzuur
cas number: 68259-12-1
in scheme: Conceptschema Chemische Stoffen
pubchem: 86998
formula: C9HF19O3S
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonic acid @en
inchi: InChI=1S/C9HF19O3S/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31/h(H,29,30,31)
broader: CHEMONTID_0003961
inchikey: MNEXVZFQQPKDHC-UHFFFAOYSA-N

1-dodecylpyridinium chloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 7717
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1
cas number: 104-74-5
cas number: 104-73-4
cas number: 138870-69-6
inchikey: GKQHIYSTBXDYNQ-UHFFFAOYSA-M
formula: C17H30ClN
smiles: CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]
broader: CHEMONTID_0001764
iupac name: 1-dodecylpyridin-1-ium chloride @en
notation: 1C12yprdnCl

alfa-endosulfan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 33213-66-0
cas number: 959-98-8
cas number: 12640-58-3
cas number: 19595-59-6
cas number: 29106-31-8
pubchem: 6433227
iupac name: (2R,8S,9R)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide @en
notation: aedsfn
formula: C9H6Cl6O3S
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002074
inchi: InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8?,19?/m1/s1
inchikey: RDYMFSUJUZBWLH-GDSHQCHSSA-N

1-methyl-1h-imidazool-2-carbaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 1-methylimidazole-2-carbaldehyde @en
formula: C5H6N2O
cas number: 13750-81-7
alternative label: 1-methyl-1H-imidazool-2-carbaldehyde
notation: 1C1y1Himdz2c
smiles: CN1C=CN=C1C=O
broader: CHEMONTID_0003213
inchikey: UEBFLTZXUXZPJO-UHFFFAOYSA-N
pubchem: 139575
inchi: InChI=1S/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3
in scheme: Conceptschema Chemische Stoffen

chloormefos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: Clmfs
iupac name: chloromethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
formula: C5H12ClO2PS2
inchikey: QGTYWWGEWOBMAK-UHFFFAOYSA-N
pubchem: 32739
inchi: InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3
smiles: CCOP(=S)(OCC)SCCl
broader: CHEMONTID_0004164
cas number: 24934-91-6

barban
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 101-27-9
pubchem: 7551
inchi: InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)
smiles: C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl
in scheme: Conceptschema Chemische Stoffen
notation: barbn
broader: CHEMONTID_0004714
iupac name: 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate @en
formula: C11H9Cl2NO2
inchikey: MCOQHIWZJUDQIC-UHFFFAOYSA-N

demeton-S
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 126-75-0
notation: demtnS
pubchem: 24723
inchikey: GRPRVIYRYGLIJU-UHFFFAOYSA-N
alternative label: demeton-s
smiles: CCOP(=O)(OCC)SCCSCC
formula: C8H19O3PS2
broader: CHEMONTID_0001438
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3

p,p’-ddd
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C14H10Cl4
iupac name: 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene @en
broader: CHEMONTID_0000369
inchi: InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
cas number: 72-54-8
pubchem: 6294
notation: 44DDD
alternative label: pp'dichloordifenyldichloorethaan
alternative label: 4,4'-dichloordifenyldichloorethaan
in scheme: Conceptschema Chemische Stoffen
inchikey: AHJKRLASYNVKDZ-UHFFFAOYSA-N

3,4-methyleendioxymethamfetamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C11H15NO2
pubchem: 1615
notation: 34C1yeDoxmaf
inchikey: SHXWCVYOXRDMCX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CC(CC1=CC2=C(C=C1)OCO2)NC
cas number: 69610-10-2
cas number: 42542-10-9
cas number: 54946-52-0
iupac name: 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine @en
broader: CHEMONTID_0000296
inchi: InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3

bromuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3408-97-7
inchikey: GSNZNZUNAJCHDO-UHFFFAOYSA-N
formula: C9H11BrN2O
inchi: InChI=1S/C9H11BrN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
notation: brmrn
in scheme: Conceptschema Chemische Stoffen
pubchem: 18870
smiles: CN(C)C(=O)NC1=CC=C(C=C1)Br
broader: CHEMONTID_0001935
iupac name: 3-(4-bromophenyl)-1,1-dimethylurea @en

fenoterol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: fentrl
inchikey: SGZRQMALQBXAIQ-UHFFFAOYSA-N
broader: CHEMONTID_0000188
pubchem: 16037
inchi: InChI=1S/C17H21NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,17-22H,6,10H2,1H3;1H
formula: C17H22BrNO4
in scheme: Conceptschema Chemische Stoffen
smiles: CC(CC1=CC=C(C=C1)O)[NH2+]CC(C2=CC(=CC(=C2)O)O)O.[Br-]
cas number: 13392-18-2
iupac name: [2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-[1-(4-hydroxyphenyl)propan-2-yl]azanium bromide @en

citral
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: citl
inchikey: WTEVQBCEXWBHNA-JXMROGBWSA-N
iupac name: ['(2E)-3,7-dimethylocta-2,6-dienal', '3,7-dimethylocta-2,6-dienal'] @en
broader: CHEMONTID_0001127
cas number: 37350-34-8
cas number: 96680-15-8
cas number: 8022-94-4
cas number: 141-27-5
cas number: 5392-40-5
pubchem: 638011
smiles: CC(=CCCC(=CC=O)C)C
formula: C10H16O
inchi: InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+

10:2 fluortelomeersulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 120226-60-0
broader: CHEMONTID_0001179
inchi: InChI=1S/C12H5F21O3S/c13-3(14,1-2-37(34,35)36)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2,(H,34,35,36)
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecane-1-sulfonic acid @en
inchikey: AJMAYLFJZQYRHN-UHFFFAOYSA-N
notation: 10:2 FTS
pubchem: 23136180
formula: C12H5F21O3S
in scheme: Conceptschema Chemische Stoffen

aldicarbsulfoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: alDcSO
broader: CHEMONTID_0004752
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
pubchem: 9568700
formula: C7H14N2O3S
inchikey: BXPMAGSOWXBZHS-WEVVVXLNSA-N
smiles: CC(C)(C=NOC(=O)NC)S(=O)C
iupac name: [(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate @en
cas number: 1646-87-3

dimethylftalaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: dimethyl benzene-1,2-dicarboxylate @en
cas number: 131-11-3
cas number: 64441-70-9
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001350
smiles: COC(=O)C1=CC=CC=C1C(=O)OC
notation: DC1yFt
formula: C10H10O4
inchikey: NIQCNGHVCWTJSM-UHFFFAOYSA-N
pubchem: 8554
inchi: InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3

9-fluorenon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C13H8O
smiles: C1=CC=C2C(=C1)C3=CC=CC=C3C2=O
iupac name: Fluoren-9-one @en
inchikey: YLQWCDOCJODRMT-UHFFFAOYSA-N
cas number: 486-25-9
pubchem: 10241
inchi: InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
in scheme: Conceptschema Chemische Stoffen
notation: 9fluornn
broader: CHEMONTID_0000020

norfluoxetine hydrochloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride @en
cas number: 57226-68-3
cas number: 56161-73-0
in scheme: Conceptschema Chemische Stoffen
formula: C16H17ClF3NO
pubchem: 151371
inchi: InChI=1S/C16H16F3NO.ClH/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12;/h1-9,15H,10-11,20H2;1H
notation: norfoxtneHCL
inchikey: GMTWWEPBGGXBTO-UHFFFAOYSA-N
broader: CHEMONTID_0004551

temefos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0004748
pubchem: 5392
formula: C16H20O6P2S3
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3
cas number: 53320-58-4
cas number: 3383-96-8
notation: temfs
inchikey: WWJZWCUNLNYYAU-UHFFFAOYSA-N

indaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 2,3-Dihydro-1H-indene @en
smiles: C1CC2=CC=CC=C2C1
inchi: InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2
formula: C9H10
cas number: 496-11-7
cas number: 56573-11-6
broader: CHEMONTID_0000027
inchikey: PQNFLJBBNBOBRQ-UHFFFAOYSA-N
notation: inda
in scheme: Conceptschema Chemische Stoffen
pubchem: 10326

dimethoxymethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 8020
formula: C3H8O2
cas number: 109-87-5
broader: CHEMONTID_0001656
notation: DC1oxC1a
in scheme: Conceptschema Chemische Stoffen
inchikey: NKDDWNXOKDWJAK-UHFFFAOYSA-N
smiles: COCOC
iupac name: Dimethoxymethane @en
inchi: InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3

bromoxynil butyraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 62526
smiles: CCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br
inchi: InChI=1S/C11H9Br2NO2/c1-2-3-10(15)16-11-8(12)4-7(6-14)5-9(11)13/h4-5H,2-3H2,1H3
formula: C11H9Br2NO2
cas number: 3861-41-4
iupac name: (2,6-dibromo-4-cyanophenyl) butanoate @en
notation: bromxnbtrt
broader: CHEMONTID_0002319
inchikey: PGMZYNZXIYOOHJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

diisopropylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 7912
formula: C6H15N
cas number: 108-18-9
iupac name: N-propan-2-ylpropan-2-amine @en
notation: DiC3yAe
inchikey: UAOMVDZJSHZZME-UHFFFAOYSA-N
broader: CHEMONTID_0002228
smiles: CC(C)NC(C)C
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3

4-tertiair-butylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: QHPQWRBYOIRBIT-UHFFFAOYSA-N
formula: C10H14O
smiles: CC(C)(C)C1=CC=C(C=C1)O
pubchem: 7393
broader: CHEMONTID_0002811
cas number: 98-54-4
inchi: InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
iupac name: 4-tert-Butylphenol @en
notation: 4ttC4yFol

N,N-diethylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003901
inchi: InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
notation: NNDC2yAn
smiles: CCN(CC)C1=CC=CC=C1
alternative label: n,n-diethylaniline
in scheme: Conceptschema Chemische Stoffen
inchikey: GGSUCNLOZRCGPQ-UHFFFAOYSA-N
pubchem: 7061
cas number: 91-66-7
formula: C10H15N
iupac name: N,N-Diethylaniline @en

dimethirimol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: CJHXCRMKMMBYJQ-UHFFFAOYSA-N
inchi: InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
cas number: 5221-53-4
pubchem: 21290
formula: C11H19N3O
smiles: CCCCC1=C(NC(=NC1=O)N(C)C)C
iupac name: 5-butyl-2-dimethylamino-6-methyl-1H-pyrimidin-4-one @en
broader: CHEMONTID_0003901
notation: Dmtrml

c.i. direct blue 6
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: tetrasodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate @en
inchikey: HOPRIFATEWRIEO-YSKRITFZSA-J
formula: C32H20N6Na4O14S4
cas number: 179472-56-1
cas number: 116675-43-5
cas number: 2602-46-2
in scheme: Conceptschema Chemische Stoffen
alternative label: C.I. Direct Blue 6
notation: cidbe6
broader: CHEMONTID_0000041
pubchem: 9570116

triapentenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000099
notation: Taptnl
inchikey: CNFMJLVJDNGPHR-UKTHLTGXSA-N
cas number: 76608-88-3
inchi: InChI=1S/C15H25N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h9-12,14,19H,4-8H2,1-3H3/b13-9+
formula: C15H25N3O
smiles: CC(C)(C)C(C(=CC1CCCCC1)N2C=NC=N2)O
pubchem: 6437842
iupac name: ['1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol', '(E)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol'] @en

1,3,5-triisopropylbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C
notation: 135TiC3yBen
pubchem: 12860
inchikey: VUMCUSHVMYIRMB-UHFFFAOYSA-N
formula: C15H24
cas number: 717-74-8
cas number: 27322-34-5
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,3,5-tri(propan-2-yl)benzene @en
broader: CHEMONTID_0000355
inchi: InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3

triacontaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: C30a
inchikey: JXTPJDDICSTXJX-UHFFFAOYSA-N
cas number: 638-68-6
broader: CHEMONTID_0002500
pubchem: 12535
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
formula: C30H62
in scheme: Conceptschema Chemische Stoffen
iupac name: TRIACONTANE @en

1-methyl-4-(1-methylethenyl)-,(s)-cyclohexeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: XMGQYMWWDOXHJM-SNVBAGLBSA-N
iupac name: (4S)-1-methyl-4-prop-1-en-2-ylcyclohexene @en
alternative label: 1-methyl-4-(1-methylethenyl)-,(S)-cyclohexeen
pubchem: 439250
inchi: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CCC(CC1)C(=C)C
broader: CHEMONTID_0001401
cas number: 5989-54-8
notation: 1C1y41C1yetn
formula: C10H16

pentylbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 538-68-1
cas number: 74296-33-6
cas number: 27458-20-4
in scheme: Conceptschema Chemische Stoffen
formula: C11H16
pubchem: 10864
notation: C5yBen
broader: CHEMONTID_0002279
inchikey: PWATWSYOIIXYMA-UHFFFAOYSA-N
inchi: InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
smiles: CCCCCC1=CC=CC=C1
iupac name: Pentylbenzene @en

di-(2-methoxyethyl)ftalaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 117-82-8
iupac name: bis(2-methoxyethyl) benzene-1,2-dicarboxylate @en
broader: CHEMONTID_0001350
inchikey: HSUIVCLOAAJSRE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: D2C1oxC2yFt
formula: C14H18O6
smiles: COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC
inchi: InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
pubchem: 8344

ethirimol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)
inchikey: BBXXLROWFHWFQY-UHFFFAOYSA-N
broader: CHEMONTID_0004161
smiles: CCCCC1=C(NC(=NC1=O)NCC)C
iupac name: 5-butyl-2-ethylamino-6-methyl-1H-pyrimidin-4-one @en
formula: C11H19N3O
notation: etrml
pubchem: 32152
cas number: 23947-60-6
in scheme: Conceptschema Chemische Stoffen

metoprolol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
cas number: 54163-88-1
cas number: 51384-51-1
cas number: 37350-58-6
inchikey: IUBSYMUCCVWXPE-UHFFFAOYSA-N
smiles: CC(C)NCC(COC1=CC=C(C=C1)CCOC)O
notation: metpll
in scheme: Conceptschema Chemische Stoffen
formula: C15H25NO3
iupac name: 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
pubchem: 4171
broader: CHEMONTID_0000139

4-nitrosodifenylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: OIJHFHYPXWSVPF-UHFFFAOYSA-N
pubchem: 9074
formula: C12H10N2O
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O
notation: 4NO2sDFyAe
broader: CHEMONTID_0000284
iupac name: 4-Nitroso-N-phenylaniline @en
inchi: InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
cas number: 156-10-5

calcium 47
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: Ca
in scheme: Conceptschema Chemische Stoffen
smiles: [Ca]
notation: Ca47
iupac name: calcium-47 @en
inchikey: OYPRJOBELJOOCE-RKEGKUSMSA-N
inchi: InChI=1S/Ca/i1+7
broader: CHEMONTID_0000428
cas number: 14391-99-2
pubchem: 6335803

diethylnitrosamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 5921
in scheme: Conceptschema Chemische Stoffen
smiles: CCN(CC)N=O
cas number: 55-18-5
inchi: InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3
inchikey: WBNQDOYYEUMPFS-UHFFFAOYSA-N
formula: C4H10N2O
iupac name: N,N-diethylnitrous amide @en
broader: CHEMONTID_0004777
notation: DC2yNOAe

isopropylpalmitaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: XUGNVMKQXJXZCD-UHFFFAOYSA-N
broader: CHEMONTID_0000324
formula: C19H38O2
cas number: 142-91-6
smiles: CCCCCCCCCCCCCCCC(=O)OC(C)C
notation: iC3ypmtt
in scheme: Conceptschema Chemische Stoffen
pubchem: 8907
iupac name: propan-2-yl hexadecanoate @en
inchi: InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3

pentadecaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: Pentadecanoic acid @en
pubchem: 13849
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCC(=O)O
formula: C15H30O2
notation: C15azr
cas number: 1002-84-2
broader: CHEMONTID_0002949
inchikey: WQEPLUUGTLDZJY-UHFFFAOYSA-N
inchi: InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

3,5,5-trimethyl-1-hexanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 201404-81-1
cas number: 3452-97-9
cas number: 140237-16-7
in scheme: Conceptschema Chemische Stoffen
formula: C9H20O
notation: 355TC1y1C6ol
smiles: CC(CCO)CC(C)(C)C
pubchem: 18938
iupac name: 3,5,5-Trimethylhexan-1-ol @en
inchi: InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3
broader: CHEMONTID_0001334
inchikey: BODRLKRKPXBDBN-UHFFFAOYSA-N

2,4-d 2-ethyl-4-methylpentyl ester
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
alternative label: 2,4-D 2-ethyl-4-methylpentyl ester
pubchem: 62039
inchikey: FWXSAXJNSVIOLZ-UHFFFAOYSA-N
formula: C16H22Cl2O3
smiles: CCC(CC(C)C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000417
notation: 24D2C2y4C1yC
cas number: 53404-37-8
inchi: InChI=1S/C16H22Cl2O3/c1-4-12(7-11(2)3)9-21-16(19)10-20-15-6-5-13(17)8-14(15)18/h5-6,8,11-12H,4,7,9-10H2,1-3H3
iupac name: (2-ethyl-4-methylpentyl) 2-(2,4-dichlorophenoxy)acetate @en

thorium 229
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15594-54-4
notation: Th229
broader: CHEMONTID_0000430
formula: Th
pubchem: 167312
iupac name: thorium-229 @en
inchikey: ZSLUVFAKFWKJRC-OIOBTWANSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Th/i1-3
smiles: [Th]

ethosuximide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCC1(CC(=O)NC1=O)C
broader: CHEMONTID_0003031
iupac name: 3-Ethyl-3-methylpyrrolidine-2,5-dione @en
pubchem: 3291
notation: etsimde
cas number: 77-67-8
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)
inchikey: HAPOVYFOVVWLRS-UHFFFAOYSA-N
formula: C7H11NO2

benzeenazijnzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 999
in scheme: Conceptschema Chemische Stoffen
notation: BenHAc
smiles: C1=CC=C(C=C1)CC(=O)O
cas number: 103-82-2
cas number: 51146-16-8
iupac name: 2-Phenylacetic acid @en
formula: C8H8O2
inchikey: WLJVXDMOQOGPHL-UHFFFAOYSA-N
inchi: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
broader: CHEMONTID_0002279

monensin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 22136-43-2
cas number: 17090-79-8
in scheme: Conceptschema Chemische Stoffen
formula: C36H61NaO11
broader: CHEMONTID_0004472
inchikey: XOIQMTLWECTKJL-PDHYURILSA-M
iupac name: sodium (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2S,3R,5S)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoate @en
pubchem: 5484043
inchi: InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20+,21+,22+,23+,24+,25-,26-,27+,28-,29-,30-,31-,33+,34-,35+,36-;/m0./s1
notation: monsn

n-propyl-1-butaanamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0002228
alternative label: N-propyl-1-butaanamine
inchikey: CWYZDPHNAGSFQB-UHFFFAOYSA-N
formula: C7H17N
inchi: InChI=1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3
notation: NC3y1C4aAe
cas number: 20193-21-9
iupac name: N-propylbutan-1-amine @en
smiles: CCCCNCCC
in scheme: Conceptschema Chemische Stoffen
pubchem: 88399

2,6-dinitrotolueen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 11813
smiles: CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]
inchikey: XTRDKALNCIHHNI-UHFFFAOYSA-N
iupac name: 2-Methyl-1,3-dinitrobenzene @en
formula: C7H6N2O4
notation: 26DNO2Tol
in scheme: Conceptschema Chemische Stoffen
cas number: 606-20-2
broader: CHEMONTID_0003969
inchi: InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3

2,2',4,4',5,5'-hexabroombifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 67774-32-7
cas number: 59080-40-9
inchikey: HMBBJSKXDBUNNT-UHFFFAOYSA-N
formula: C12H4Br6
inchi: InChI=1S/C12H4Br6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H
notation: PBB153
pubchem: 42948
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,4-tribromo-5-(2,4,5-tribromophenyl)benzene @en
broader: CHEMONTID_0003954

aldosteron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: PQSUYGKTWSAVDQ-ZVIOFETBSA-N
iupac name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde @en
inchi: InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
pubchem: 5839
cas number: 52-39-1
cas number: 152-04-5
cas number: 10328-70-8
broader: CHEMONTID_0003095
formula: C21H28O5
notation: aldtrn
in scheme: Conceptschema Chemische Stoffen

cefixim
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1
in scheme: Conceptschema Chemische Stoffen
pubchem: 5362065
notation: cefxm
broader: CHEMONTID_0000173
inchikey: OKBVVJOGVLARMR-QSWIMTSFSA-N
formula: C16H15N5O7S2
cas number: 79350-37-1
iupac name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid @en

3-methylhexaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CCCC(C)CC
inchi: InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
formula: C7H16
cas number: 116502-45-5
cas number: 589-34-4
notation: 3C1yC6a
inchikey: VLJXXKKOSFGPHI-UHFFFAOYSA-N
iupac name: 3-Methylhexane @en
broader: CHEMONTID_0004620
pubchem: 11507

broomchloorazijnzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: GEHJBWKLJVFKPS-UHFFFAOYSA-N
formula: C2H2BrClO2
pubchem: 542762
smiles: C(C(=O)O)(Cl)Br
iupac name: 2-bromo-2-chloroacetic acid @en
notation: BrClHAc
cas number: 5589-96-8
inchi: InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)
broader: CHEMONTID_0003000

1,4-butaandioldiglycidylether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane @en
formula: C10H18O4
cas number: 162786-24-5
cas number: 29611-97-0
cas number: 2425-79-8
cas number: 134498-52-5
cas number: 152618-32-1
cas number: 83138-98-1
cas number: 54350-59-3
cas number: 139074-76-3
smiles: C1C(O1)COCCCCOCC2CO2
in scheme: Conceptschema Chemische Stoffen
notation: 14C4aDoDgcdE
inchikey: SHKUUQIDMUMQQK-UHFFFAOYSA-N
pubchem: 17046
inchi: InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2
broader: CHEMONTID_0000159

jopanoïnezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: OIRFJRBSRORBCM-UHFFFAOYSA-N
smiles: CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O
iupac name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid @en
cas number: 96-83-3
pubchem: 3735
notation: jopninzr
inchi: InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
in scheme: Conceptschema Chemische Stoffen
formula: C11H12I3NO2
broader: CHEMONTID_0002551

dinatriumoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: disodium oxygen(-2) anion @en
cas number: 37382-45-9
cas number: 1313-59-3
notation: Na2O
formula: Na2O
inchikey: KKCBUQHMOMHUOY-UHFFFAOYSA-N
broader: CHEMONTID_0000526
pubchem: 73971
inchi: InChI=1S/2Na.O/q2*+1;-2
smiles: [O-2].[Na+].[Na+]

sulfamethizol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 5328
cas number: 144-82-1
broader: CHEMONTID_0001925
iupac name: 4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide @en
smiles: CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N
inchikey: VACCAVUAMIDAGB-UHFFFAOYSA-N
formula: C9H10N4O2S2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
notation: sulfmtzl

tetrafluoretheen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 8301
notation: T4FC2e
cas number: 9014-83-9
cas number: 116-14-3
inchi: InChI=1S/C2F4/c3-1(4)2(5)6
broader: CHEMONTID_0002861
smiles: C(=C(F)F)(F)F
inchikey: BFKJFAAPBSQJPD-UHFFFAOYSA-N
formula: C2F4
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,1,2,2-tetrafluoroethene @en

cyaanguanidine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 139351-77-2
cas number: 461-58-5
cas number: 157480-33-6
cas number: 125148-58-5
cas number: 139351-78-3
inchikey: QGBSISYHAICWAH-UHFFFAOYSA-N
formula: C2H4N4
notation: CNgandne
pubchem: 10005
broader: CHEMONTID_0000375
inchi: InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
iupac name: 2-Cyanoguanidine @en
in scheme: Conceptschema Chemische Stoffen
smiles: C(#N)N=C(N)N

thallium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II (D5) 'thallium en thalliumverbindingen, uitgedrukt als thallium'
comment: VLAR II bijl. 4.4.2 'thallium en zijn verbindingen, uitgedrukt in Se'
comment: VLAR III (D3, diverse art) 'Tl'
comment: VLAR II bijl. 2.5.2 'thallium'
comment: VLAR III (D3) 'thallium en de verbindingen daarvan, uitgedrukt als thallium (Tl)
definition: thallium en thalliumverbindingen, uitgedrukt als thallium (Tl)
cas number: 82870-81-3
cas number: 113835-49-7
cas number: 7440-28-0
inchi: InChI=1S/Tl
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC I 002
is referenced by: LUC III 010
pubchem: 5359464
notation: Tl
iupac name: THALLIUM @en
broader: CHEMONTID_0000427
smiles: [Tl]
inchikey: BKVIYDNLLOSFOA-UHFFFAOYSA-N
formula: Tl

2-ethyl-1-hexanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
broader: CHEMONTID_0001334
cas number: 111675-57-1
cas number: 704-76-7
cas number: 104-76-7
formula: C8H18O
smiles: CCCCC(CC)CO
notation: 2C2y1C6ol
pubchem: 7720
iupac name: 2-Ethylhexan-1-ol @en
inchikey: YIWUKEYIRIRTPP-UHFFFAOYSA-N

lithium carbonaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: XGZVUEUWXADBQD-UHFFFAOYSA-L
broader: CHEMONTID_0001521
cas number: 10377-37-4
cas number: 12767-19-0
cas number: 554-13-2
cas number: 216964-61-3
formula: CLi2O3
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
smiles: [Li+].[Li+].C(=O)([O-])[O-]
pubchem: 11125
iupac name: Dilithium carbonate @en
notation: LiCO3

5-acetyl-1,1,2,3,3,6-hexamethylindaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 15323-35-0
cas number: 55599-08-1
cas number: 64058-43-1
formula: C17H24O
notation: AHMI
broader: CHEMONTID_0000027
inchikey: VDBHOHJWUDKDRW-UHFFFAOYSA-N
iupac name: 1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone @en
pubchem: 47167
inchi: InChI=1S/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3
in scheme: Conceptschema Chemische Stoffen

2-chloor-6-nitroaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 69855
smiles: C1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-]
formula: C6H5ClN2O2
broader: CHEMONTID_0000036
inchikey: VOTXWUCYIOPNNR-UHFFFAOYSA-N
notation: 2Cl6NO2An
inchi: InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2
iupac name: 2-Chloro-6-nitroaniline @en
in scheme: Conceptschema Chemische Stoffen
cas number: 769-11-9

glyoxaal
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 40094-65-3
cas number: 107-22-2
cas number: 83513-30-8
cas number: 9005-91-8
inchi: InChI=1S/C2H2O2/c3-1-2-4/h1-2H
formula: C2H2O2
in scheme: Conceptschema Chemische Stoffen
smiles: C(=O)C=O
inchikey: LEQAOMBKQFMDFZ-UHFFFAOYSA-N
notation: glyoxl
iupac name: oxaldehyde @en
pubchem: 7860
broader: CHEMONTID_0002230

methomyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 16752-77-5
cas number: 19928-35-9
inchikey: UHXUZOCRWCRNSJ-QPJJXVBHSA-N
inchi: InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+
pubchem: 5353758
broader: CHEMONTID_0002285
formula: C5H10N2O2S
iupac name: (1-methylsulfanylethylideneamino) N-methylcarbamate @en
smiles: CC(=NOC(=O)NC)SC
notation: metml

2,4',5-trichloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 16606-02-3
cas number: 63439-93-0
broader: CHEMONTID_0003030
pubchem: 27960
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl
iupac name: 1,4-dichloro-2-(4-chlorophenyl)benzene @en
inchikey: VAHKBZSAUKPEOV-UHFFFAOYSA-N
inchi: InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H
notation: PCB31
formula: C12H7Cl3

rocuronium bromide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 441351
cas number: 119302-91-9
formula: C32H53BrN2O4
iupac name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1
broader: CHEMONTID_0001691
notation: rocrnBr
inchikey: OYTJKRAYGYRUJK-FMCCZJBLSA-M

nonylfenolhexaethoxylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C27H48O7
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCO
pubchem: 168665
notation: NPEO6
cas number: 27177-01-1
inchikey: TWIMUEGVLWNOMO-UHFFFAOYSA-N
inchi: InChI=1S/C27H48O7/c1-2-3-4-5-6-7-8-11-26-12-9-10-13-27(26)34-25-24-33-23-22-32-21-20-31-19-18-30-17-16-29-15-14-28/h9-10,12-13,28H,2-8,11,14-25H2,1H3
broader: CHEMONTID_0003338
in scheme: Conceptschema Chemische Stoffen

1-undeceen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 68526-57-8
cas number: 821-95-4
cas number: 10-01-5
inchi: InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen
notation: 1C11e
smiles: CCCCCCCCCC=C
pubchem: 13190
iupac name: undec-1-ene @en
inchikey: DCTOHCCUXLBQMS-UHFFFAOYSA-N
formula: C11H22

2,2',3,3',4,4',5,5',6,6'-decabroomdiphenylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 145538-74-5
cas number: 109945-70-2
cas number: 1163-19-5
broader: CHEMONTID_0001845
inchi: InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
notation: PBDE209
pubchem: 14410
formula: C12Br10O
alternative label: bde 209
alternative label: decabroomdifenylether (bde209)
inchikey: WHHGLZMJPXIBIX-UHFFFAOYSA-N
iupac name: 1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene @en
in scheme: Conceptschema Chemische Stoffen

natriumhydroxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: HNaO
inchi: InChI=1S/Na.H2O/h;1H2/q+1;/p-1
notation: NaOH
broader: CHEMONTID_0001270
inchikey: HEMHJVSKTPXQMS-UHFFFAOYSA-M
iupac name: SODIUM HYDROXIDE @en
smiles: [OH-].[Na+]
cas number: 1310-73-2
cas number: 8012-01-9
in scheme: Conceptschema Chemische Stoffen
pubchem: 14798

2,2'-methyliminodiethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C5H13NO2
cas number: 511262-76-3
cas number: 105-59-9
notation: 22C1yimnDC2o
inchi: InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3
iupac name: 2-(2-hydroxyethyl-methylamino)ethanol @en
broader: CHEMONTID_0001897
in scheme: Conceptschema Chemische Stoffen
pubchem: 7767
smiles: CN(CCO)CCO
inchikey: CRVGTESFCCXCTH-UHFFFAOYSA-N

chloraat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: [O-]Cl(=O)=O
in scheme: Conceptschema Chemische Stoffen
pubchem: 104770
formula: ClO3-
inchikey: XTEGARKTQYYJKE-UHFFFAOYSA-M
cas number: 14866-68-3
cas number: 13932-10-0
broader: CHEMONTID_0001049
notation: ClO3
notation: ClTO
inchi: InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1
alternative label: chloortrioxide
iupac name: Chlorate @en

heptaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
iupac name: Heptanoic acid @en
broader: CHEMONTID_0003086
inchikey: MNWFXJYAOYHMED-UHFFFAOYSA-N
formula: C7H14O2
pubchem: 8094
cas number: 111-14-8
notation: C7azr
smiles: CCCCCCC(=O)O
in scheme: Conceptschema Chemische Stoffen

glufosinaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: glufosinaat-ammonium
smiles: CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]
inchi: InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3
in scheme: Conceptschema Chemische Stoffen
iupac name: azanium 2-amino-4-(hydroxy-methylphosphoryl)butanoate @en
cas number: 82785-28-2
cas number: 106917-54-8
cas number: 118336-14-4
cas number: 77182-82-2
cas number: 51276-47-2
pubchem: 53597
broader: CHEMONTID_0002404
notation: glufsntNH4
notation: glufsnt
inchikey: ZBMRKNMTMPPMMK-UHFFFAOYSA-N
formula: C5H15N2O4P

2,2',3,5'-tetrachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 38875
broader: CHEMONTID_0003030
notation: PCB44
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H6Cl4/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H
iupac name: 1,2-dichloro-3-(2,5-dichlorophenyl)benzene @en
inchikey: ALDJIKXAHSDLLB-UHFFFAOYSA-N
formula: C12H6Cl4
cas number: 41464-39-5
cas number: 70362-46-8

2-chloor-4-nitroaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000036
inchikey: LOCWBQIWHWIRGN-UHFFFAOYSA-N
smiles: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N
cas number: 121-87-9
iupac name: 2-Chloro-4-nitroaniline @en
formula: C6H5ClN2O2
pubchem: 8492
notation: 2Cl4NO2An
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2

2,2'-dimethyl-2,2'-azodipropiononitril
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 39322-24-2
cas number: 76012-28-7
cas number: 80748-81-8
cas number: 78-67-1
cas number: 58449-80-2
cas number: 67035-64-7
cas number: 95210-41-6
cas number: 34241-39-9
inchikey: OZAIFHULBGXAKX-UHFFFAOYSA-N
pubchem: 6547
iupac name: 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile @en
formula: C8H12N4
notation: 22DC1y22aDpp
broader: CHEMONTID_0000410
inchi: InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)(C#N)N=NC(C)(C)C#N

pyrifenox
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 6023583
iupac name: 1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564
notation: pyrfnx
inchi: InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3/b18-14-
formula: C14H12Cl2N2O
smiles: CON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl
inchikey: CKPCAYZTYMHQEX-JXAWBTAJSA-N
cas number: 88283-41-4

1,3-dichloor-1,1,2,2,3-pentafluorpropaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,3-Dichloro-1,1,2,2,3-pentafluoropropane @en
inchikey: UJIGKESMIPTWJH-UHFFFAOYSA-N
broader: CHEMONTID_0001517
inchi: InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H
formula: C3HCl2F5
cas number: 507-55-1
smiles: C(C(C(F)(F)Cl)(F)F)(F)Cl
pubchem: 62353
notation: HCFK225cb

decaanzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 334-48-5
cas number: 52627-73-3
inchi: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
notation: C10azr
iupac name: Decanoic acid @en
formula: C10H20O2
broader: CHEMONTID_0003086
smiles: CCCCCCCCCC(=O)O
inchikey: GHVNFZFCNZKVNT-UHFFFAOYSA-N
pubchem: 2969
in scheme: Conceptschema Chemische Stoffen

flurenol-butyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C18H18O3/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,20H,2-3,12H2,1H3
broader: CHEMONTID_0000020
pubchem: 40816
smiles: CCCCOC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)O
in scheme: Conceptschema Chemische Stoffen
iupac name: Butyl 9-hydroxyfluorene-9-carboxylate @en
cas number: 2314-09-2
formula: C18H18O3
inchikey: PSGPXWYGJGGEEG-UHFFFAOYSA-N
notation: flurnC4y

carbadox
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: BPMVRAQIQQEBLN-UHFFFAOYSA-N
inchi: InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7,18H,1H3
pubchem: 2553
iupac name: ['methyl N-[(E)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate', 'methyl N-[(Z)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate', 'methyl N-[(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methylimino]carbamate'] @en
formula: C11H10N4O4
notation: carbdx
smiles: COC(=O)N=NC=C1C=[N+](C2=CC=CC=C2N1O)[O-]
in scheme: Conceptschema Chemische Stoffen
cas number: 6804-07-5
cas number: 39310-25-3
broader: CHEMONTID_0000486

2,3,3',4,4',5'-hexachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: YTWXDQVNPCIEOX-UHFFFAOYSA-N
is referenced by: LUC VI 002
formula: C12H4Cl6
cas number: 69782-90-7
alternative label: PCB 157
alternative label: pcb 157
alternative label: 2,3,3',4,4',5'-hexachloorbifenyl (pcb157)
comment: VLAR III (D3) 'dioxineachtige PCB's'
notation: PCB157
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H
pubchem: 50891
broader: CHEMONTID_0003030
iupac name: 1,2,3-trichloro-5-(2,3,4-trichlorophenyl)benzene @en

2-(4-broom-2,5-dimethoxyfenyl) ethylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
cas number: 66142-81-2
notation: 24Br25DC1oxF
iupac name: 2-(4-bromo-2,5-dimethoxyphenyl)ethanamine @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004111
formula: C10H14BrNO2
pubchem: 98527
smiles: COC1=CC(=C(C=C1CCN)OC)Br
inchikey: YMHOBZXQZVXHBM-UHFFFAOYSA-N

2,3-dichloorpropanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2
cas number: 616-23-9
cas number: 82890-22-0
broader: CHEMONTID_0002608
formula: C3H6Cl2O
smiles: C(C(CCl)Cl)O
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,3-Dichloropropan-1-ol @en
notation: 23DClC3ol
pubchem: 12018
inchikey: ZXCYIJGIGSDJQQ-UHFFFAOYSA-N

1,2-dichloor-1,1,2,3,3-pentafluorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: C(C(C(F)(F)Cl)(F)Cl)(F)F
broader: CHEMONTID_0001517
pubchem: 61110
inchi: InChI=1S/C3HCl2F5/c4-2(8,1(6)7)3(5,9)10/h1H
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2-DICHLORO-1,1,2,3,3-PENTAFLUOROPROPANE @en
cas number: 422-44-6
inchikey: GDSQRBLILFKERU-UHFFFAOYSA-N
formula: C3HCl2F5
notation: HCFK225bb

cythioaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004748
notation: cytoat
inchi: InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)
inchikey: BSBSDQUZDZXGFN-UHFFFAOYSA-N
cas number: 115-93-5
pubchem: 8293
iupac name: 4-dimethoxyphosphinothioyloxybenzenesulfonamide @en
smiles: COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N
in scheme: Conceptschema Chemische Stoffen
formula: C8H12NO5PS2

1,3-dicyclohexylureum
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 13DccC6yurum
inchi: InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
inchikey: 7847
cas number: 2387-23-7
smiles: C1CCC(CC1)NC(=O)NC2CCCCC2
formula: C13H24N2O
iupac name: 1,3-Dicyclohexylurea @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 4277
broader: CHEMONTID_0000517

avermectin B1a
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
inchikey: RRZXIRBKKLTSOM-XPNPUAGNSA-N
formula: C48H72O14
broader: CHEMONTID_0000147
notation: acmtnB1a
in scheme: Conceptschema Chemische Stoffen
cas number: 65195-55-3
pubchem: 6434889
iupac name: (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one @en
alternative label: avermectin b1a

octamethyltetrasiloxaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1000-05-1
pubchem: 6328651
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,1,3,3,5,5,7,7-Octamethyltetrasiloxane @en
inchikey: ILBWBNOBGCYGSU-UHFFFAOYSA-N
notation: OcC1yT4slxn
formula: C8H24O3Si4
inchi: InChI=1S/C8H24O3Si4/c1-12(2)9-14(5,6)11-15(7,8)10-13(3)4/h1-8H3
smiles: C[Si](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)C
broader: CHEMONTID_0004446

2,3,4,6,7,8-hexachloordibenzofuraan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C12H2Cl6O
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
pubchem: 43495
broader: CHEMONTID_0003029
is referenced by: LUC VI 002
alternative label: 2,3,4,6,7,8-hexachloordibenzofuran
alternative label: 2,3,4,6,7,8-hexachloordibenzofuraan (hxcdf)
notation: PCDF130
in scheme: Conceptschema Chemische Stoffen
cas number: 60851-34-5
inchi: InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H
inchikey: XTAHLACQOVXINQ-UHFFFAOYSA-N
iupac name: 2,3,4,6,7,8-HEXACHLORODIBENZOFURAN @en

trans-1,2-dichloorpropeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7069-38-7
in scheme: Conceptschema Chemische Stoffen
inchikey: PPKPKFIWDXDAGC-NSCUHMNNSA-N
pubchem: 5366870
inchi: InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3/b3-2+
smiles: CC(=CCl)Cl
notation: t12DClC3e
iupac name: ['1,2-dichloroprop-1-ene', '(E)-1,2-dichloroprop-1-ene'] @en
formula: C3H4Cl2
broader: CHEMONTID_0002863

perfluorbutaansulfonamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: PFBSA
cas number: 30334-69-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003966
iupac name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide @en
inchi: InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
formula: C4H2F9NO2S
pubchem: 10958205
inchikey: FUVKFLJWBHVMHX-UHFFFAOYSA-N

dipropylftalaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCCOC(=O)C1=CC=CC=C1C(=O)OCCC
formula: C14H18O4
cas number: 131-16-8
broader: CHEMONTID_0001350
iupac name: dipropyl benzene-1,2-dicarboxylate @en
pubchem: 8559
in scheme: Conceptschema Chemische Stoffen
notation: DC3yFt
inchikey: MQHNKCZKNAJROC-UHFFFAOYSA-N
inchi: InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3

metabenzthiazuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CNC(=O)N(C)C1=NC2=CC=CC=C2S1
alternative label: methabenzthiazuron
formula: C10H11N3OS
in scheme: Conceptschema Chemische Stoffen
cas number: 18691-97-9
notation: metbtazrn
inchikey: RRVIAQKBTUQODI-UHFFFAOYSA-N
broader: CHEMONTID_0000311
iupac name: 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea @en
pubchem: 29216
inchi: InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)

octaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: WWZKQHOCKIZLMA-UHFFFAOYSA-N
cas number: 68937-74-6
cas number: 18312-04-4
cas number: 124-07-2
formula: C8H16O2
in scheme: Conceptschema Chemische Stoffen
pubchem: 379
notation: C8azr
inchi: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
broader: CHEMONTID_0003086
smiles: CCCCCCCC(=O)O
iupac name: octanoic acid @en

chloorflurenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 17169
notation: clfrnl
broader: CHEMONTID_0000020
cas number: 2464-37-1
iupac name: 2-CHLORO-9-HYDROXYFLUORENE-9-CARBOXYLIC ACID @en
inchi: InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)
formula: C14H9ClO3
in scheme: Conceptschema Chemische Stoffen
inchikey: SVOAUHHKPGKPQK-UHFFFAOYSA-N

barium 140
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: barium-140 @en
inchi: InChI=1S/Ba/i1+3
pubchem: 6335490
cas number: 14798-08-4
inchikey: DSAJWYNOEDNPEQ-AKLPVKDBSA-N
broader: CHEMONTID_0000428
formula: Ba
notation: Ba140
in scheme: Conceptschema Chemische Stoffen
smiles: [Ba]

3-nitroaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2
cas number: 99-09-2
cas number: 12262-63-4
pubchem: 7423
smiles: C1=CC(=CC(=C1)[N+](=O)[O-])N
broader: CHEMONTID_0000036
formula: C6H6N2O2
in scheme: Conceptschema Chemische Stoffen
notation: 3NO2An
inchikey: XJCVRTZCHMZPBD-UHFFFAOYSA-N
iupac name: 3-Nitroaniline @en

halfenprox
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 10140464
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
cas number: 111872-58-3
inchi: InChI=1S/C24H23BrF2O3/c1-23(2,19-11-13-21(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-22(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3
formula: C24H23BrF2O3
iupac name: 1-(bromo-difluoromethoxy)-4-[2-methyl-1-[[3-(phenoxy)phenyl]methoxy]propan-2-yl]benzene @en
notation: halepx
inchikey: WIFXJBMOTMKRMM-UHFFFAOYSA-N

4-methyl-1-penteen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C6H12
inchikey: WSSSPWUEQFSQQG-UHFFFAOYSA-N
broader: CHEMONTID_0004476
pubchem: 12724
smiles: CC(C)CC=C
in scheme: Conceptschema Chemische Stoffen
cas number: 691-37-2
cas number: 25068-26-2
cas number: 44390-46-7
notation: 4C1y1C5e
inchi: InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3
iupac name: 4-Methylpent-1-ene @en

metoxuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: metxrn
pubchem: 29863
inchi: InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)
broader: CHEMONTID_0001935
formula: C10H13ClN2O2
smiles: CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl
inchikey: DSRNRYQBBJQVCW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 3-(3-Chloro-4-methoxyphenyl)-1,1-dimethylurea @en
cas number: 19937-59-8

4-methyloctaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 16665
broader: CHEMONTID_0004620
formula: C9H20
inchi: InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3
inchikey: DOGIHOCMZJUJNR-UHFFFAOYSA-N
cas number: 2216-34-4
in scheme: Conceptschema Chemische Stoffen
notation: 4C1yC8a
iupac name: 4-Methyloctane @en
smiles: CCCCC(C)CCC

fluormetholon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001468
formula: C22H29FO4
pubchem: 9878
notation: Fmtln
inchi: InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1
cas number: 426-13-1
iupac name: (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one @en
in scheme: Conceptschema Chemische Stoffen
inchikey: FAOZLTXFLGPHNG-KNAQIMQKSA-N

2,2'-dichloorbenzidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 4-(4-amino-2-chlorophenyl)-3-chloroaniline @en
alternative label: 2,2’-dichloorbenzidine
formula: C12H10Cl2N2
smiles: C1=CC(=C(C=C1N)Cl)C2=C(C=C(C=C2)N)Cl
broader: CHEMONTID_0003955
notation: 22DClbzdne
in scheme: Conceptschema Chemische Stoffen
cas number: 84-68-4
inchi: InChI=1S/C12H10Cl2N2/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14/h1-6H,15-16H2
pubchem: 66538
inchikey: XKXPBJBODVHDAW-UHFFFAOYSA-N

difethialon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: VSVAQRUUFVBBFS-UHFFFAOYSA-N
formula: C31H23BrO2S
inchi: InChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2
broader: CHEMONTID_0002044
pubchem: 91771
iupac name: 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxythiochromen-4-one @en
in scheme: Conceptschema Chemische Stoffen
notation: Dftiln
cas number: 104653-34-1

1,2,3,4-tetrachloorbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: GBDZXPJXOMHESU-UHFFFAOYSA-N
notation: 1234T4ClBen
pubchem: 12463
inchi: InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
broader: CHEMONTID_0001099
smiles: C1=CC(=C(C(=C1Cl)Cl)Cl)Cl
iupac name: 1,2,3,4-Tetrachlorobenzene @en
cas number: 634-66-2
cas number: 63697-20-1
cas number: 13280-72-3
in scheme: Conceptschema Chemische Stoffen
formula: C6H2Cl4

benzaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: BenAh
broader: CHEMONTID_0000321
cas number: 100-52-7
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)C=O
pubchem: 240
inchikey: HUMNYLRZRPPJDN-UHFFFAOYSA-N
formula: C7H6O
inchi: InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
iupac name: BENZALDEHYDE @en

perfluoroctaanzuur, ammoniumzout
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C8HF15O2.H3N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);1H3
pubchem: 62525
in scheme: Conceptschema Chemische Stoffen
formula: C8H4F15NO2
inchikey: YOALFLHFSFEMLP-UHFFFAOYSA-N
notation: PFOA_NH4
iupac name: azane; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid @en
cas number: 95328-99-7
cas number: 3825-26-1
cas number: 77751-76-9
broader: CHEMONTID_0003962

tris(2-ethylhexyl)fosfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: GTVWRXDRKAHEAD-UHFFFAOYSA-N
pubchem: 6537
formula: C24H51O4P
inchi: InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
notation: tris2C2yC6yP
cas number: 78-42-2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003460
iupac name: ['Tris(2-ethylhexyl) phosphate', 'tris(2-ethylhexoxy)-hydroxyphosphanium'] @en

validamycine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 443629
broader: CHEMONTID_0002207
iupac name: (2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol @en
formula: C20H35NO13
inchi: InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1
inchikey: JARYYMUOCXVXNK-CSLFJTBJSA-N
notation: valdmcne
cas number: 37248-47-8
in scheme: Conceptschema Chemische Stoffen

2-ethylhexylnitraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H17NO3/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3
iupac name: 2-Ethylhexyl nitrate @en
smiles: CCCCC(CC)CO[N+](=O)[O-]
inchikey: NKRVGWFEFKCZAP-UHFFFAOYSA-N
formula: C8H17NO3
pubchem: 62823
notation: 2C2yC6yNO3
cas number: 27247-96-7
broader: CHEMONTID_0004091

neburon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
notation: nebrn
inchikey: CCGPUGMWYLICGL-UHFFFAOYSA-N
broader: CHEMONTID_0001935
smiles: CCCCN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
cas number: 555-37-3
pubchem: 11145
iupac name: 1-Butyl-3-(3,4-dichlorophenyl)-1-methylurea @en
in scheme: Conceptschema Chemische Stoffen
formula: C12H16Cl2N2O

florfenicol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C12H14Cl2FNO4S
cas number: 73231-34-2
cas number: 81588-76-3
cas number: 76639-94-6
pubchem: 114811
iupac name: 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide @en
in scheme: Conceptschema Chemische Stoffen
inchikey: AYIRNRDRBQJXIF-NXEZZACHSA-N
broader: CHEMONTID_0004233
notation: florfncl

malathion
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: JXSJBGJIGXNWCI-UHFFFAOYSA-N
cas number: 11096-67-6
cas number: 121-75-5
inchi: InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
notation: malton
pubchem: 4004
in scheme: Conceptschema Chemische Stoffen
formula: C10H19O6PS2
smiles: CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC
broader: CHEMONTID_0000324
iupac name: diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate @en

pirimicarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C
inchi: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
inchikey: YFGYUFNIOHWBOB-UHFFFAOYSA-N
formula: C11H18N4O2
iupac name: (2-dimethylamino-5,6-dimethylpyrimidin-4-yl) N,N-dimethylcarbamate @en
notation: pirmcb
pubchem: 31645
in scheme: Conceptschema Chemische Stoffen
cas number: 23103-98-2
broader: CHEMONTID_0003901

tris-(2-chloorisopropyl)-fosfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: KVMPUXDNESXNOH-UHFFFAOYSA-N
notation: TClC3yPO4
formula: C9H18Cl3O4P
pubchem: 26176
broader: CHEMONTID_0003460
cas number: 215035-31-7
cas number: 13674-84-5
cas number: 76025-08-6
cas number: 16839-32-0
iupac name: tris(1-chloropropan-2-yl) phosphate @en
inchi: InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3
in scheme: Conceptschema Chemische Stoffen
smiles: CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
alternative label: tris(1-chloor-2-propyl)fosfaat

1,2-dimethoxyethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 173201-80-4
cas number: 110-71-4
cas number: 24991-55-7
iupac name: 1,2-Dimethoxyethane @en
inchikey: XTHFKEDIFFGKHM-UHFFFAOYSA-N
formula: C4H10O2
notation: 12DC1oxC2a
smiles: COCCOC
in scheme: Conceptschema Chemische Stoffen
pubchem: 8071
inchi: InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
broader: CHEMONTID_0001167

etofibraat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000417
iupac name: 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl pyridine-3-carboxylate hydrochloride @en
pubchem: 3017044
cas number: 56775-91-8
cas number: 31637-97-5
formula: C18H19Cl2NO5
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C18H18ClNO5.ClH/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13;/h3-9,12H,10-11H2,1-2H3;1H
inchikey: SMQMWHHMXSBKEP-UHFFFAOYSA-N
notation: etfbt

4-chloor-3-nitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 6976
smiles: CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
broader: CHEMONTID_0000036
formula: C7H6ClNO2
inchi: InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
inchikey: NWESJZZPAJGHRZ-UHFFFAOYSA-N
notation: 4Cl3NO2Tol
cas number: 89-60-1
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-Chloro-4-methyl-2-nitrobenzene @en

thiobencarb
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: S-[(4-chlorophenyl)methyl] diethylaminomethanethioate @en
cas number: 28249-77-6
inchikey: QHTQREMOGMZHJV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
smiles: CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl
notation: tobcb
pubchem: 34192
broader: CHEMONTID_0001099
formula: C12H16ClNOS

hexachloorbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: HCB
cas number: 118-74-1
inchikey: CKAPSXZOOQJIBF-UHFFFAOYSA-N
iupac name: 1,2,3,4,5,6-hexachlorobenzene @en
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl
formula: C6Cl6
inchi: InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
pubchem: 8370
in scheme: Conceptschema Chemische Stoffen
alternative label: hexachloorbenzeen (hcb)
broader: CHEMONTID_0001099

diazomethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003688
inchikey: YXHKONLOYHBTNS-UHFFFAOYSA-N
formula: CH2N2
cas number: 334-88-3
notation: DazC1a
iupac name: DIAZOMETHANE @en
smiles: C=[N+]=[N-]
inchi: InChI=1S/CH2N2/c1-3-2/h1H2
in scheme: Conceptschema Chemische Stoffen
pubchem: 9550

1-nitropyreen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001851
formula: C16H9NO2
cas number: 5522-43-0
cas number: 63021-86-3
in scheme: Conceptschema Chemische Stoffen
pubchem: 21694
iupac name: 1-Nitropyrene @en
inchikey: ALRLPDGCPYIVHP-UHFFFAOYSA-N
inchi: InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
notation: 1NO2Pyr

pyrimethanil
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 91650
inchi: InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
notation: pyrmtnl
inchikey: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
broader: CHEMONTID_0000284
smiles: CC1=CC(=NC(=N1)NC2=CC=CC=C2)C
iupac name: 4,6-dimethyl-N-phenylpyrimidin-2-amine @en
in scheme: Conceptschema Chemische Stoffen
cas number: 53112-28-0
formula: C12H13N3

buturon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 19587
broader: CHEMONTID_0001935
inchikey: BYYMILHAKOURNM-UHFFFAOYSA-N
inchi: InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)
iupac name: 1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea @en
formula: C12H13ClN2O
notation: butrn
cas number: 3766-60-7
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C#C)N(C)C(=O)NC1=CC=C(C=C1)Cl

1-(butylheptyl)-benzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: RRPCXIBGXYGQNC-UHFFFAOYSA-N
broader: CHEMONTID_0002279
notation: 1C4yC7yBen
smiles: CCCCCCC(CCCC)C1=CC=CC=C1
inchi: InChI=1S/C17H28/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
iupac name: undecan-5-ylbenzene @en
cas number: 4537-15-9
pubchem: 20661
formula: C17H28

epsilon-caprolactam
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2953-03-9
cas number: 32838-23-6
cas number: 168214-28-6
cas number: 105-60-2
cas number: 32838-21-4
cas number: 117955-36-9
cas number: 34876-18-1
inchi: InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
in scheme: Conceptschema Chemische Stoffen
formula: C6H11NO
notation: ecapltm
pubchem: 7768
inchikey: JBKVHLHDHHXQEQ-UHFFFAOYSA-N
broader: CHEMONTID_0000163
iupac name: azepan-2-one @en
smiles: C1CCC(=O)NCC1

lynestrenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: lyntnl
pubchem: 5857
formula: C20H28O
inchikey: YNVGQYHLRCDXFQ-XGXHKTLJSA-N
inchi: InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
iupac name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC12CCC3C(C1CCC2(C#C)O)CCC4=CCCCC34
cas number: 52-76-6
broader: CHEMONTID_0001466

daidzeine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C15H10O4
inchi: InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
notation: daizine
broader: CHEMONTID_0000494
cas number: 486-66-8
inchikey: ZQSIJRDFPHDXIC-UHFFFAOYSA-N
iupac name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one @en
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
pubchem: 5281708

azamethifos
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O
pubchem: 71482
notation: azmtfs
in scheme: Conceptschema Chemische Stoffen
formula: C9H10ClN2O5PS
inchikey: VNKBTWQZTQIWDV-UHFFFAOYSA-N
iupac name: 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one @en
cas number: 51274-12-5
cas number: 59217-99-1
cas number: 35575-96-3
broader: CHEMONTID_0002118

4-chloor-2-methylaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-69-2
cas number: 87999-30-2
smiles: CC1=C(C=CC(=C1)Cl)N
inchikey: CXNVOWPRHWWCQR-UHFFFAOYSA-N
broader: CHEMONTID_0003964
notation: 4Cl2C1yAn
alternative label: 4-chloor-2-methylaniline (p-chloor-o-toluidine)
pubchem: 7251
iupac name: 4-Chloro-2-methylaniline @en
formula: C7H8ClN
inchi: InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
in scheme: Conceptschema Chemische Stoffen

bifenthrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 92880-79-0
cas number: 82657-04-3
notation: biftn
inchi: InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-
broader: CHEMONTID_0000041
pubchem: 5281872
inchikey: OMFRMAHOUUJSGP-UNOMPAQXSA-N
formula: C23H22ClF3O2
iupac name: ['(2-methyl-3-phenylphenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '(2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate'] @en
in scheme: Conceptschema Chemische Stoffen

perfluor-n-hexaanzuur (pfhxa)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid @en
notation: PFHxA
pubchem: 67542
cas number: 307-24-4
inchi: InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)
inchikey: PXUULQAPEKKVAH-UHFFFAOYSA-N
alternative label: perfluorhexaanzuur
alternative label: perfluor-n-hexaanzuur
alternative label: perfluorhexaanzuur (pfhxa)
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
formula: C6HF11O2

chloridazon (pyrazon)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: chloridazon
broader: CHEMONTID_0000208
in scheme: Conceptschema Chemische Stoffen
formula: C10H8ClN3O
inchikey: WYKYKTKDBLFHCY-UHFFFAOYSA-N
iupac name: 5-amino-4-chloro-2-phenylpyridazin-3-one @en
cas number: 1698-60-8
cas number: 58858-18-7
smiles: C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl
notation: Clidzn
pubchem: 15546
inchi: InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2

cashmeran
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: DPMI
inchi: InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3
iupac name: 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one @en
formula: C14H22O
smiles: CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C
cas number: 155667-06-4
cas number: 33704-61-9
pubchem: 92292
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004325
inchikey: MIZGSAALSYARKU-UHFFFAOYSA-N

ijzer (driewaardig)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
formula: Fe+3
cas number: 20074-52-6
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
iupac name: iron(+3) cation @en
notation: FeIII
smiles: [Fe+3]
inchi: InChI=1S/Fe/q+3
pubchem: 29936

fullereen c60
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: fullrnC60
inchi: InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59
iupac name: (C60-Ih)[5,6]fullerene @en
cas number: 99685-96-8
alternative label: fullereen C60
pubchem: 123591
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000518
formula: C60
inchikey: XMWRBQBLMFGWIX-UHFFFAOYSA-N

PCB 123
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 65510-44-3
pubchem: 47650
alternative label: pcb 123
alternative label: 2,3',4,4',5'-pentachloorbifenyl
alternative label: 2',3,4,4',5-pentachloorbifenyl (pcb123)
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC VI 002
inchikey: YAHNWSSFXMVPOU-UHFFFAOYSA-N
comment: VLAR III (D3) 'dioxineachtige PCB's'
notation: PCB123
formula: C12H5Cl5
iupac name: 1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene @en
inchi: InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H
broader: CHEMONTID_0003030

koolstof
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
is referenced by: BOC versie 2.1
is referenced by: WAC III D 050
is referenced by: LUC IV 011
is referenced by: CMA 2 II A.7
is referenced by: LUC IV 012
is referenced by: CMA 1 A.6
is referenced by: LUC IV 000
iupac name: Carbon @en
formula: C
pubchem: 5462310
notation: C
inchikey: OKTJSMMVPCPJKN-UHFFFAOYSA-N
smiles: [C]
cas number: 7440-44-0
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C
broader: CHEMONTID_0000000

6-o-monoacetylmorfine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2784-73-8
iupac name: [(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate @en
formula: C19H21NO4
inchi: InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
broader: CHEMONTID_0000058
in scheme: Conceptschema Chemische Stoffen
notation: 6oMactmfne
pubchem: 5462507
inchikey: JJGYGPZNTOPXGV-SSTWWWIQSA-N

o,p’-ddt
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
alternative label: 2,4'-dichloordifenyltrichloorethaan
iupac name: 1-chloro-4-[2,2,2-trichloro-1-(2-chlorophenyl)ethyl]benzene @en
cas number: 58633-26-4
cas number: 789-02-6
notation: 24DDT
broader: CHEMONTID_0000369
inchi: InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H
pubchem: 13089
formula: C14H9Cl5
inchikey: CVUGPAFCQJIYDT-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

n-butylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
alternative label: N-butylaniline
notation: NC4yAn
inchikey: VSHTWPWTCXQLQN-UHFFFAOYSA-N
pubchem: 14310
inchi: InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
formula: C10H15N
broader: CHEMONTID_0003924
smiles: CCCCNC1=CC=CC=C1
iupac name: N-Butylaniline @en
cas number: 1126-78-9
in scheme: Conceptschema Chemische Stoffen

pentobarbital
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C11H18N2O3
cas number: 76-74-4
broader: CHEMONTID_0000291
inchi: InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
iupac name: 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione @en
inchikey: WEXRUCMBJFQVBZ-UHFFFAOYSA-N
notation: pentbbtl
smiles: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC
in scheme: Conceptschema Chemische Stoffen
pubchem: 4737

pentanochloor
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2307-68-8
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)
iupac name: N-(3-Chloro-4-methylphenyl)-2-methylpentanamide @en
inchikey: WGVWLKXZBUVUAM-UHFFFAOYSA-N
broader: CHEMONTID_0001099
smiles: CCCC(C)C(=O)NC1=CC(=C(C=C1)C)Cl
formula: C13H18ClNO
notation: PenCl
pubchem: 16826

hexamethylcyclotrisiloxaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: C[Si]1(O[Si](O[Si](O1)(C)C)(C)C)C
inchi: InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3
iupac name: 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane @en
inchikey: HTDJPCNNEPUOOQ-UHFFFAOYSA-N
cas number: 541-05-9
notation: HxC1yccTslxn
formula: C6H18O3Si3
broader: CHEMONTID_0004445
pubchem: 10914

4,4'-dichloordifenylsulfon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl
formula: C12H8Cl2O2S
cas number: 80-07-9
cas number: 85228-26-8
inchi: InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
notation: 44DClDFysfn
in scheme: Conceptschema Chemische Stoffen
pubchem: 6625
inchikey: GPAPPPVRLPGFEQ-UHFFFAOYSA-N
iupac name: 1-chloro-4-(4-chlorophenyl)sulfonylbenzene @en
broader: CHEMONTID_0004233

o-desmethylmetoprolol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 62572-94-5
inchi: InChI=1S/C14H23NO3/c1-11(2)15-9-13(17)10-18-14-5-3-12(4-6-14)7-8-16/h3-6,11,13,15-17H,7-10H2,1-2H3
formula: C14H23NO3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000139
inchikey: CUKXSBOAIJILRY-UHFFFAOYSA-N
notation: odC1ymtpll
smiles: CC(C)NCC(COC1=CC=C(C=C1)CCO)O
iupac name: 1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
pubchem: 162181

fenylhydrazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000113
smiles: C1=CC=C(C=C1)NN.Cl
in scheme: Conceptschema Chemische Stoffen
pubchem: 60962
inchi: InChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H
cas number: 100-63-0
cas number: 27140-08-5
cas number: 59-88-1
inchikey: JOVOSQBPPZZESK-UHFFFAOYSA-N
formula: C6H9ClN2
iupac name: PHENYLHYDRAZINE HYDROCHLORIDE @en
notation: Fyhdzne

2-nafthyloxyazijnzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 8422
formula: C12H10O3
in scheme: Conceptschema Chemische Stoffen
cas number: 120-23-0
notation: 2NyOxHac
inchi: InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
smiles: C1=CC=C2C=C(C=CC2=C1)OCC(=O)O
iupac name: 2-naphthalen-2-yloxyacetic acid @en
broader: CHEMONTID_0000417
inchikey: RZCJYMOBWVJQGV-UHFFFAOYSA-N

tributoxyethylfosfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
pubchem: 6540
notation: tris2C4oxC2y
alternative label: tris(2-butoxyethyl)fosfaat
formula: C18H39O7P
cas number: 119166-98-2
cas number: 31227-66-4
cas number: 19040-50-7
cas number: 78-51-3
iupac name: Tris(2-butoxyethyl) phosphate @en
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
inchikey: WTLBZVNBAKMVDP-UHFFFAOYSA-N

imazethapyr
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 54740
inchi: InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)
notation: imztpr
cas number: 81335-77-5
formula: C15H19N3O3
iupac name: 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid @en
in scheme: Conceptschema Chemische Stoffen
inchikey: XVOKUMIPKHGGTN-UHFFFAOYSA-N
broader: CHEMONTID_0000060

fenuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 101-42-8
iupac name: 1,1-Dimethyl-3-phenylurea @en
pubchem: 7560
formula: C9H12N2O
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002279
inchi: InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)
smiles: CN(C)C(=O)NC1=CC=CC=C1
inchikey: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
notation: fenrn

dipropylnitrosamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 12130
broader: CHEMONTID_0004777
smiles: CCCN(CCC)N=O
cas number: 621-64-7
formula: C6H14N2O
notation: DC3yNOAe
inchikey: YLKFDHTUAUWZPQ-UHFFFAOYSA-N
inchi: InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
iupac name: N,N-dipropylnitrous amide @en

isobutylstearaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 12588
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(C)C
notation: IC4ysart
cas number: 646-13-9
inchi: InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h21H,4-20H2,1-3H3
formula: C22H44O2
inchikey: ORFWYUFLWUWSFM-UHFFFAOYSA-N
iupac name: 2-Methylpropyl octadecanoate @en

dimethyldifenyleendisulfide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C14H14S2
cas number: 103-19-5
inchi: InChI=1S/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 66027
inchikey: TZOVOULUMXXLOJ-UHFFFAOYSA-N
smiles: CC1=CC=C(C=C1)SSC2=CC=C(C=C2)C
broader: CHEMONTID_0001091
iupac name: 1-methyl-4-(4-methylphenyl)disulfanylbenzene @en
notation: DC1yDFyeDS

levothyroxine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C15H11I4NO4
broader: CHEMONTID_0004321
notation: levtrxne
inchi: InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)
in scheme: Conceptschema Chemische Stoffen
inchikey: XUIIKFGFIJCVMT-UHFFFAOYSA-N
pubchem: 853
cas number: 51-48-9
cas number: 300-30-1
iupac name: 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid @en

ethiofencarbsulfoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: OMOLDRXZKFFGJI-UHFFFAOYSA-N
cas number: 53380-22-6
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: etofcbSO
iupac name: [2-(ethylsulfinylmethyl)phenyl] N-methylcarbamate @en
inchi: InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
smiles: CCS(=O)CC1=CC=CC=C1OC(=O)NC
pubchem: 3035207
formula: C11H15NO3S

triclocarban
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 7547
broader: CHEMONTID_0002564
inchikey: ICUTUKXCWQYESQ-UHFFFAOYSA-N
iupac name: 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea @en
cas number: 101-20-2
formula: C13H9Cl3N2O
notation: Tccbn
inchi: InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)

guanylureum
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/2C2H6N4O.H2O4S/c2*3-1(4)6-2(5)7;1-5(2,3)4/h2*(H6,3,4,5,6,7);(H2,1,2,3,4)
smiles: C(=NC(=O)N)(N)N.C(=NC(=O)N)(N)N.OS(=O)(=O)O
in scheme: Conceptschema Chemische Stoffen
inchikey: IATXFPUBPMZBPH-UHFFFAOYSA-N
cas number: 591-01-5
cas number: 141-83-3
formula: C4H14N8O6S
broader: CHEMONTID_0001180
pubchem: 11555
iupac name: diaminomethylideneurea;sulfuric acid @en
notation: guanurum

methyl-2-methylbutyraat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCC(C)C(=O)OC
inchi: InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
notation: C1y2C1ybtrt
broader: CHEMONTID_0000324
formula: C6H12O2
cas number: 868-57-5
cas number: 53955-81-0
in scheme: Conceptschema Chemische Stoffen
iupac name: METHYL 2-METHYLBUTANOATE @en
inchikey: OCWLYWIFNDCWRZ-UHFFFAOYSA-N
pubchem: 13357

medinoterbacetaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: (2-tert-butyl-3-methyl-4,6-dinitrophenyl) acetate @en
inchi: InChI=1S/C13H16N2O6/c1-7-9(14(17)18)6-10(15(19)20)12(21-8(2)16)11(7)13(3,4)5/h6H,1-5H3
formula: C13H16N2O6
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003969
notation: medntactt
cas number: 2487-01-6
inchikey: GZJNBGYLANALSV-UHFFFAOYSA-N
pubchem: 17212
smiles: CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)C(C)(C)C

chlorimuron-ethyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 56160
inchikey: NSWAMPCUPHPTTC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 90982-32-4
cas number: 94365-91-0
iupac name: ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate @en
broader: CHEMONTID_0004705
formula: C15H15ClN4O6S
notation: chlormrC2y

fenbutatinoxide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13356-08-6
cas number: 57547-75-8
cas number: 12684-28-5
notation: fenbtSnO
broader: CHEMONTID_0002811
formula: C60H78OSn2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;
pubchem: 16683004
inchikey: HOXINJBQVZWYGZ-UHFFFAOYSA-N
iupac name: tris(2-methyl-2-phenylpropyl)-tris(2-methyl-2-phenylpropyl)stannyloxystannane @en

propaquizafop
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 86122
broader: CHEMONTID_0004677
formula: C22H22ClN3O5
notation: propqzfp
iupac name: 2-(propan-2-ylideneamino)oxyethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate @en
cas number: 111479-05-1
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3
inchikey: FROBCXTULYFHEJ-UHFFFAOYSA-N

2,3,4,6-tetrachloorfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: VGVRPFIJEJYOFN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 6028
iupac name: 2,3,4,6-Tetrachlorophenol @en
formula: C6H2Cl4O
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)O)Cl
cas number: 12698-64-5
cas number: 58-90-2
notation: 2346T4ClFol
broader: CHEMONTID_0002772
inchi: InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H

endrin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 3048
inchikey: DFBKLUNHFCTMDC-UHFFFAOYSA-N
inchi: InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2
notation: endn
iupac name: 3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene @en
broader: CHEMONTID_0001549
cas number: 72-20-8
formula: C12H8Cl6O
in scheme: Conceptschema Chemische Stoffen

2-cyclohexen-1-on
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: Cyclohex-2-en-1-one @en
notation: 2ccC6e1on
cas number: 25512-62-3
cas number: 31830-39-4
cas number: 930-68-7
pubchem: 13594
inchi: InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
in scheme: Conceptschema Chemische Stoffen
inchikey: FWFSEYBSWVRWGL-UHFFFAOYSA-N
formula: C6H8O
broader: CHEMONTID_0004325
smiles: C1CC=CC(=O)C1

neptunium 239
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: Np239
cas number: 13968-59-7
pubchem: 104958
iupac name: neptunium-239 @en
inchi: InChI=1S/Np/i1+2
formula: Np
smiles: [Np]
inchikey: LFNLGNPSGWYGGD-NJFSPNSNSA-N

picloram
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: picrm
smiles: C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N
cas number: 1918-02-1
broader: CHEMONTID_0002414
inchikey: NQQVFXUMIDALNH-UHFFFAOYSA-N
formula: C6H3Cl3N2O2
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-Amino-3,5,6-trichloropyridine-2-carboxylic acid @en
inchi: InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)
pubchem: 15965

dodecylbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 31237
iupac name: Dodecylbenzene @en
smiles: CCCCCCCCCCCCC1=CC=CC=C1
cas number: 28776-38-7
cas number: 68442-69-3
cas number: 123-01-3
cas number: 29986-57-0
inchikey: KWKXNDCHNDYVRT-UHFFFAOYSA-N
broader: CHEMONTID_0002279
inchi: InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3
in scheme: Conceptschema Chemische Stoffen
notation: dodcBen
formula: C18H30

nitrosopiperidine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: NOpprdne
formula: C5H10N2O
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2
iupac name: 1-Nitrosopiperidine @en
cas number: 100-75-4
cas number: 68374-62-9
smiles: C1CCN(CC1)N=O
pubchem: 7526
broader: CHEMONTID_0002442
inchikey: UWSDONTXWQOZFN-UHFFFAOYSA-N

2,4-D natrium zout
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: sodium 2-(2,4-dichlorophenoxy)-2-oxoethanolate @en
inchikey: SFYPSBLCFRKKDT-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002319
cas number: 67924-78-1
cas number: 58318-52-8
cas number: 37353-58-5
cas number: 2702-72-9
formula: C8H5Cl2NaO3
notation: 24DNazt
pubchem: 17611
alternative label: 2,4-d natrium zout
smiles: C1=CC(=C(C=C1Cl)Cl)OC(=O)C[O-].[Na+]
inchi: InChI=1S/C8H5Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-8(12)4-11;/h1-3H,4H2;/q-1;+1

didecyldimethylammoniumchloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 126851-24-9
cas number: 7173-51-5
cas number: 154765-32-9
pubchem: 23558
smiles: CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-]
notation: DDMAC
inchi: InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
formula: C22H48ClN
in scheme: Conceptschema Chemische Stoffen
iupac name: didecyl-dimethylazanium chloride @en
broader: CHEMONTID_0004225
inchikey: RUPBZQFQVRMKDG-UHFFFAOYSA-M

fenthion-oxon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 23046
iupac name: dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate @en
broader: CHEMONTID_0004742
inchi: InChI=1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3
cas number: 6552-12-1
notation: fentoOon
smiles: CC1=C(C=CC(=C1)OP(=O)(OC)OC)SC
inchikey: ZNRZGJAHNMGWQN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C10H15O4PS

oleinezuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: olinzr
notation: t9C18ezr
alternative label: trans-9-octadeceenzuur
iupac name: ['(E)-octadec-9-enoic acid', 'octadec-9-enoic acid'] @en
formula: C18H34O2
cas number: 112-79-8
cas number: 2027-47-6
cas number: 112-80-1
cas number: 1120-45-2
broader: CHEMONTID_0002949
smiles: CCCCCCCCC=CCCCCCCCC(=O)O
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
in scheme: Conceptschema Chemische Stoffen
inchikey: ZQPPMHVWECSIRJ-MDZDMXLPSA-N
pubchem: 637517

dinoterb
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 2-tert-Butyl-4,6-dinitrophenol @en
notation: Dntb
in scheme: Conceptschema Chemische Stoffen
formula: C10H12N2O5
inchikey: IIPZYDQGBIWLBU-UHFFFAOYSA-N
smiles: CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
pubchem: 14994
cas number: 1420-07-1
broader: CHEMONTID_0004505
inchi: InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3

2,5-dinitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 25DNO2Tol
in scheme: Conceptschema Chemische Stoffen
pubchem: 12075
smiles: CC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
iupac name: 2-Methyl-1,4-dinitrobenzene @en
cas number: 619-15-8
broader: CHEMONTID_0000036
inchi: InChI=1S/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3
inchikey: KZBOXYKTSUUBTO-UHFFFAOYSA-N
formula: C7H6N2O4

glyfosaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C(C(=O)O)NCP(=O)(O)O
formula: C3H8NO5P
is referenced by: WAC IV A 029
broader: CHEMONTID_0000060
inchi: InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
cas number: 1071-83-6
cas number: 40465-66-5
in scheme: Conceptschema Chemische Stoffen
inchikey: XDDAORKBJWWYJS-UHFFFAOYSA-N
pubchem: 3496
notation: glyfst
iupac name: 2-(phosphonomethylamino)acetic acid @en

1-methoxy-2-propanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 1C1oxC3ol
smiles: CC(COC)O
pubchem: 7900
inchi: InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3
formula: C4H10O2
broader: CHEMONTID_0001661
inchikey: ARXJGSRGQADJSQ-UHFFFAOYSA-N
cas number: 58769-19-0
cas number: 107-98-2
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-Methoxypropan-2-ol @en

imazamox
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)
broader: CHEMONTID_0000060
cas number: 182636-13-1
cas number: 114311-32-9
formula: C15H19N3O4
inchikey: NUPJIGQFXCQJBK-UHFFFAOYSA-N
notation: imzmx
iupac name: 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 86137

sulfotep
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3689-24-5
cas number: 8054-28-2
inchi: InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3
broader: CHEMONTID_0001572
inchikey: XIUROWKZWPIAIB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 19395
notation: sulftp
formula: C8H20O5P2S2
smiles: CCOP(=S)(OCC)OP(=S)(OCC)OCC
iupac name: diethoxyphosphinothioyloxy-diethoxy-sulfanylidenephosphorane @en

trichloronaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 9477
notation: TClnt
broader: CHEMONTID_0004742
smiles: CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl
cas number: 327-98-0
iupac name: ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane @en
formula: C10H12Cl3O2PS
in scheme: Conceptschema Chemische Stoffen
inchikey: ANIAQSUBRGXWLS-UHFFFAOYSA-N

1-chloor-2,3-epoxypropaan (epichloorhydrine)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 56227-39-5
cas number: 106-89-8
cas number: 9009-12-5
cas number: 13403-37-7
cas number: 6806-86-6
cas number: 36250-81-4
cas number: 109351-74-8
alternative label: 1-chloor-2,3-epoxypropaan(epichloorhydrine)
alternative label: epichloorhydrine
smiles: C1C(O1)CCl
pubchem: 7835
notation: epClhdne
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000159
formula: C3H5ClO
comment: VLAREM II bijlage 4.4.2
iupac name: 2-(Chloromethyl)oxirane @en
inchi: InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2
inchikey: BRLQWZUYTZBJKN-UHFFFAOYSA-N

2,2',3,3',4,4'-hexachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: PCB128
in scheme: Conceptschema Chemische Stoffen
cas number: 38380-07-3
cas number: 11096-82-5
pubchem: 38018
formula: C12H4Cl6
broader: CHEMONTID_0003030
inchi: InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H
iupac name: 1,2,3-trichloro-4-(2,3,4-trichlorophenyl)benzene @en
inchikey: BTAGRXWGMYTPBY-UHFFFAOYSA-N

methyloxydemeton
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: C1yOxdmtn
pubchem: 4618
alternative label: oxydemeton-methyl
iupac name: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane @en
formula: C6H15O4PS2
cas number: 301-12-2
inchikey: PMCVMORKVPSKHZ-UHFFFAOYSA-N
inchi: InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3
smiles: CCS(=O)CCSP(=O)(OC)OC
broader: CHEMONTID_0000491
in scheme: Conceptschema Chemische Stoffen

imazapyr
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 81334-34-1
cas number: 108224-78-8
cas number: 94795-74-1
formula: C13H15N3O3
notation: imzpr
pubchem: 54738
in scheme: Conceptschema Chemische Stoffen
inchikey: CLQMBPJKHLGMQK-UHFFFAOYSA-N
iupac name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid @en
broader: CHEMONTID_0000060
inchi: InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)

pyriproxyfen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: NHDHVHZZCFYRSB-UHFFFAOYSA-N
inchi: InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3
notation: pyrpxfn
iupac name: 2-[1-[4-(phenoxy)phenoxy]propan-2-yloxy]pyridine @en
pubchem: 91753
cas number: 126040-81-1
cas number: 95737-68-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004155
formula: C20H19NO3

docosaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 112-85-6
cas number: 16529-65-0
notation: C22azr
formula: C22H44O2
iupac name: Docosanoic acid @en
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)O
in scheme: Conceptschema Chemische Stoffen
pubchem: 8215
inchikey: UKMSUNONTOPOIO-UHFFFAOYSA-N
broader: CHEMONTID_0002950

cyclofosfamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000398
inchikey: CMSMOCZEIVJLDB-UHFFFAOYSA-N
formula: C7H15Cl2N2O2P
cas number: 60007-95-6
cas number: 60030-72-0
cas number: 60007-96-7
cas number: 50-18-0
cas number: 75526-90-8
iupac name: ['(2S)-N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,N-bis(2-chloroethyl)-2-hydroxy-1,3,2-oxazaphosphinan-2-ium-2-amine', '(2R)-N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine'] @en
smiles: C1CNP(=O)(OC1)N(CCCl)CCCl
in scheme: Conceptschema Chemische Stoffen
notation: cycffAd
pubchem: 2907

2,2-dibenzothiazyldisulfide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole @en
notation: 22DbztazDS
pubchem: 8447
formula: C14H8N2S4
in scheme: Conceptschema Chemische Stoffen
inchikey: AFZSMODLJJCVPP-UHFFFAOYSA-N
inchi: InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H
broader: CHEMONTID_0000311
cas number: 120-78-5
cas number: 109767-80-8

2-methyl-2-propaanthiol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C4H10S
cas number: 3374-16-1
cas number: 75-66-1
cas number: 16528-55-5
broader: CHEMONTID_0001212
pubchem: 6387
notation: 2C1y2C3atol
inchikey: WMXCDAVJEZZYLT-UHFFFAOYSA-N
iupac name: 2-Methylpropane-2-thiol @en
smiles: CC(C)(C)S
inchi: InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3

foraat-sulfon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004164
inchi: InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3
iupac name: diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidenephosphorane @en
pubchem: 17425
inchikey: YVPSNUIHHFTTRL-UHFFFAOYSA-N
smiles: CCOP(=S)(OCC)SCS(=O)(=O)CC
in scheme: Conceptschema Chemische Stoffen
notation: forsfn
formula: C7H17O4PS3
cas number: 2588-04-7

ioxynil octanoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 19730
broader: CHEMONTID_0002319
inchikey: QBEXFUOWUYCXNI-UHFFFAOYSA-N
formula: C15H17I2NO2
notation: ioxnOcnat
cas number: 3861-47-0
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I
iupac name: (4-cyano-2,6-diiodophenyl) octanoate @en
inchi: InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3

hetzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 8266
iupac name: 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid @en
inchi: InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)
in scheme: Conceptschema Chemische Stoffen
formula: C9H4Cl6O4
cas number: 7374-78-9
cas number: 5343-97-5
cas number: 115-28-6
alternative label: HETzuur
inchikey: DJKGDNKYTKCJKD-UHFFFAOYSA-N
notation: HETzr
broader: CHEMONTID_0000346

methyl diethyldithiocarbamaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: JYRXPFCUABYLPD-UHFFFAOYSA-N
notation: C1yDC2yDtocb
pubchem: 12704
cas number: 686-07-7
in scheme: Conceptschema Chemische Stoffen
iupac name: methyl diethylaminomethanedithioate @en
formula: C6H13NS2
broader: CHEMONTID_0003936
inchi: InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3
smiles: CCN(CC)C(=S)SC

4,4'-methyleendifenyldiisocyanaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 65916-89-4
cas number: 55157-41-0
cas number: 97568-33-7
cas number: 12125-47-2
cas number: 156580-59-5
cas number: 77090-48-3
cas number: 26447-40-5
cas number: 142690-07-1
cas number: 101-68-8
cas number: 201528-77-0
cas number: 57460-66-9
cas number: 88001-94-9
cas number: 53633-14-0
cas number: 153986-89-1
cas number: 28515-38-0
notation: 44C1yeDFyDiC
inchi: InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000369
pubchem: 7570
iupac name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene @en
smiles: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
formula: C15H10N2O2
inchikey: UPMLOUAZCHDJJD-UHFFFAOYSA-N

fenacitine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCOC1=CC=C(C=C1)NC(=O)C
pubchem: 4754
cas number: 62-44-2
iupac name: N-(4-Ethoxyphenyl)acetamide @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001846
formula: C10H13NO2
inchi: InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
notation: fenctne
inchikey: CPJSUEIXXCENMM-UHFFFAOYSA-N

methcathinon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CC(C(=O)C1=CC=CC=C1)NC
broader: CHEMONTID_0004298
pubchem: 1576
iupac name: 2-methylamino-1-phenylpropan-1-one @en
notation: metcinn
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
formula: C10H13NO
cas number: 28521-94-0
cas number: 5650-44-2
inchikey: LPLLVINFLBSFRP-UHFFFAOYSA-N

polyethyleenglycol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 37221-95-7
cas number: 37225-26-6
cas number: 25322-68-3
cas number: 2219-51-4
cas number: 71767-64-1
cas number: 107-21-1
inchikey: LYCAIKOWRPUZTN-UHFFFAOYSA-N
notation: glycl
alternative label: ethyleenglycol
alternative label: glycol (monoethyleenglycol)
pubchem: 174
smiles: C(CO)O
comment: VLAREM II bijlage 4.4.2
inchi: InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
in scheme: Conceptschema Chemische Stoffen
iupac name: Ethane-1,2-diol @en
broader: CHEMONTID_0002467
formula: C2H6O2

pentaglyme
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: DMDPGPKXQDIQQG-UHFFFAOYSA-N
inchi: InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3
notation: Peglyme
smiles: COCCOCCOCCOCCOCCOC
in scheme: Conceptschema Chemische Stoffen
pubchem: 70931
iupac name: 1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane @en
broader: CHEMONTID_0001167
formula: C12H26O6
cas number: 1191-87-3

trans-1,2-difenylcyclobutaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C1CC(C1C2=CC=CC=C2)C3=CC=CC=C3
inchikey: AERGGMDNGDDGPI-UHFFFAOYSA-N
formula: C16H16
broader: CHEMONTID_0000253
iupac name: (2-Phenylcyclobutyl)benzene @en
inchi: InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
notation: t12DFyccC4a
cas number: 20071-09-4
in scheme: Conceptschema Chemische Stoffen
pubchem: 140640

tetrahydrocannabinol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 1972-08-3
cas number: 5957-27-7
cas number: 14146-29-3
cas number: 26108-45-2
cas number: 14146-43-1
cas number: 1363-19-5
cas number: 6465-30-1
notation: Thcannbnl
inchikey: CYQFCXCEBYINGO-IAGOWNOFSA-N
formula: C21H30O2
broader: CHEMONTID_0003522
iupac name: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol @en
inchi: InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
pubchem: 16078

tannine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 16129778
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
cas number: 5424-20-4
broader: CHEMONTID_0001710
notation: tannne
inchikey: LRBQNJMCXXYXIU-PPKXGCFTSA-N
formula: C76H52O46
iupac name: [2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate @en

codeine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 76-57-3
broader: CHEMONTID_0000058
notation: codine
formula: C18H21NO3
inchi: InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
iupac name: (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol @en
inchikey: OROGSEYTTFOCAN-DNJOTXNNSA-N
pubchem: 5284371

fenthoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: XAMUDJHXFNRLCY-UHFFFAOYSA-N
formula: C12H17O4PS2
broader: CHEMONTID_0002279
cas number: 61391-87-5
cas number: 61362-00-3
cas number: 2597-03-7
cas number: 61361-99-7
pubchem: 17435
inchi: InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3
notation: fentat
iupac name: ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate @en
in scheme: Conceptschema Chemische Stoffen
smiles: CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC

selenaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001075
formula: O4Se-2
inchikey: QYHFIVBSNOWOCQ-UHFFFAOYSA-L
smiles: [O-][Se](=O)(=O)[O-]
iupac name: selenate @en
notation: SeO4
inchi: InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
cas number: 14124-68-6
pubchem: 26473
in scheme: Conceptschema Chemische Stoffen

benzoezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C7H6O2
pubchem: 243
inchi: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
cas number: 65-85-0
cas number: 8013-63-6
smiles: C1=CC=C(C=C1)C(=O)O
notation: benzezr
inchikey: WPYMKLBDIGXBTP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: benzoic acid @en
broader: CHEMONTID_0002565

4-ethyl-4-hexadecylmorpholiniumethylsulfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: QDQHWKZZJJDBND-UHFFFAOYSA-M
smiles: CCCCCCCCCCCCCCCC[N+]1(CCOCC1)CC.CCOS(=O)(=O)[O-]
broader: CHEMONTID_0000392
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C22H46NO.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(4-2)19-21-24-22-20-23;1-2-6-7(3,4)5/h3-22H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
iupac name: 4-ethyl-4-hexadecylmorpholin-4-ium; ethyl sulfate @en
notation: 4C2y4C6ymfln
cas number: 8007-36-1
cas number: 78-21-7
formula: C24H51NO5S
pubchem: 60971

4-chloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2051-62-9
iupac name: 1-chloro-4-phenylbenzene @en
broader: CHEMONTID_0000500
pubchem: 16323
smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)Cl
notation: PCB3
formula: C12H9Cl
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
inchikey: FPWNLURCHDRMHC-UHFFFAOYSA-N

napropamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: N,N-diethyl-2-naphthalen-1-yloxypropanamide @en
pubchem: 27189
formula: C17H21NO2
inchikey: WXZVAROIGSFCFJ-UHFFFAOYSA-N
inchi: InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3
smiles: CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21
in scheme: Conceptschema Chemische Stoffen
notation: nappAd
broader: CHEMONTID_0000023
cas number: 15299-99-7

2,6-di-tert-butylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 31405
broader: CHEMONTID_0002811
inchikey: DKCPKDPYUFEZCP-UHFFFAOYSA-N
smiles: CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,6-ditert-butylphenol @en
formula: C14H22O
notation: 26DttC4yFol
cas number: 50356-17-7
cas number: 128-39-2
inchi: InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3

dioxacarb
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C11H13NO4
iupac name: [2-(1,3-dioxolan-2-yl)phenyl] N-methylcarbamate @en
smiles: CNC(=O)OC1=CC=CC=C1C2OCCO2
inchi: InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)
inchikey: SDKQRNRRDYRQKY-UHFFFAOYSA-N
notation: DOacb
broader: CHEMONTID_0004742
pubchem: 23421
cas number: 6988-21-2
in scheme: Conceptschema Chemische Stoffen

indolylazijnzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 802
inchi: InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
notation: indlHAc
cas number: 54692-39-6
cas number: 87-51-4
cas number: 6305-45-9
formula: C10H9NO2
iupac name: 2-(1H-indol-3-yl)acetic acid @en
smiles: C1=CC=C2C(=C1)C(=CN2)CC(=O)O
inchikey: SEOVTRFCIGRIMH-UHFFFAOYSA-N
broader: CHEMONTID_0001252

fenobucarb
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3766-81-2
cas number: 12773-35-2
cas number: 145846-59-9
broader: CHEMONTID_0004640
notation: fenbcb
formula: C12H17NO2
pubchem: 19588
in scheme: Conceptschema Chemische Stoffen
smiles: CCC(C)C1=CC=CC=C1OC(=O)NC
inchi: InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)
iupac name: (2-butan-2-ylphenyl) N-methylcarbamate @en
inchikey: DIRFUJHNVNOBMY-UHFFFAOYSA-N

ethyl-p-nitrofenylthiobenzeenfosfonaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 16421
in scheme: Conceptschema Chemische Stoffen
cas number: 65580-79-2
cas number: 2104-64-5
cas number: 65580-80-5
inchikey: AIGRXSNSLVJMEA-UHFFFAOYSA-N
formula: C14H14NO4PS
iupac name: ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane @en
smiles: CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
notation: EPN
inchi: InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3
broader: CHEMONTID_0004767

fenchloorfos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 9298
cas number: 299-84-3
formula: C8H8Cl3O3PS
smiles: COP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
notation: fenClfs
inchikey: JHJOOSLFWRRSGU-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
iupac name: dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane @en
inchi: InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3

benzo(ghi)fluorantheen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene @en
pubchem: 9144
in scheme: Conceptschema Chemische Stoffen
inchikey: YEIHPPOCKIHUQJ-UHFFFAOYSA-N
broader: CHEMONTID_0000025
cas number: 203-12-3
inchi: InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H
formula: C18H10
notation: BghiF

metaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 61021
formula: C8H16O4
iupac name: 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane @en
inchi: InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3
cas number: 108-62-3
notation: mAh
broader: CHEMONTID_0001656
inchikey: GKKDCARASOJPNG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CC1OC(OC(OC(O1)C)C)C

diethyleentriamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 111-40-0
cas number: 54018-92-7
cas number: 26915-78-6
cas number: 94700-17-1
cas number: 73989-30-7
cas number: 8076-55-9
cas number: 53303-76-7
cas number: 98824-35-2
cas number: 59135-90-9
smiles: C(CNCCN)N
broader: CHEMONTID_0002228
inchikey: RPNUMPOLZDHAAY-UHFFFAOYSA-N
formula: C4H13N3
pubchem: 8111
iupac name: N-(2-aminoethyl)ethane-1,2-diamine @en
in scheme: Conceptschema Chemische Stoffen
notation: DC2yeTAe
inchi: InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2

perfluor-3-methoxypropaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0003000
pubchem: 120228
inchi: InChI=1S/C4HF7O3/c5-2(6,1(12)13)3(7,8)14-4(9,10)11/h(H,12,13)
smiles: C(=O)(C(C(OC(F)(F)F)(F)F)(F)F)O
notation: PFMOPrA
cas number: 377-73-1
inchikey: AGIMOOYNBDLMJV-UHFFFAOYSA-N
formula: C4HF7O3
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoic acid @en

1-hydroxy-2,4,4-trimethyl-3-pentanyl 2-methylpropanoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C12H24O3
smiles: CC(C)C(=O)OC(C(C)CO)C(C)(C)C
cas number: 74367-33-2
pubchem: 156477
broader: CHEMONTID_0001238
inchi: InChI=1S/C12H24O3/c1-8(2)11(14)15-10(9(3)7-13)12(4,5)6/h8-10,13H,7H2,1-6H3
notation: 1HOx244TC1y3
in scheme: Conceptschema Chemische Stoffen
inchikey: YXISVHDWGVMPGJ-UHFFFAOYSA-N
iupac name: (1-hydroxy-2,4,4-trimethylpentan-3-yl) 2-methylpropanoate @en

2-butoxyethylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: NQBXSWAWVZHKBZ-UHFFFAOYSA-N
formula: C8H16O3
broader: CHEMONTID_0001238
inchi: InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
notation: 2C4oxC2yactt
iupac name: 2-Butoxyethyl acetate @en
cas number: 112-07-2
smiles: CCCCOCCOC(=O)C
pubchem: 8160

1-ethoxy-2-propanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001661
cas number: 1569-02-4
notation: 1C2ox2C3ol
iupac name: 1-Ethoxypropan-2-ol @en
inchi: InChI=1S/C5H12O2/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3
smiles: CCOCC(C)O
in scheme: Conceptschema Chemische Stoffen
formula: C5H12O2
inchikey: JOLQKTGDSGKSKJ-UHFFFAOYSA-N
pubchem: 15287

2-hydroxyethylhydrazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 109-84-2
smiles: C(CO)NN
inchi: InChI=1S/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2
inchikey: GBHCABUWWQUMAJ-UHFFFAOYSA-N
broader: CHEMONTID_0002460
iupac name: 2-hydrazinylethanol @en
in scheme: Conceptschema Chemische Stoffen
formula: C2H8N2O
notation: 2HOxC2yhdzne
pubchem: 8017

c.i. direct brown 95
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0003370
pubchem: 9570322
inchi: InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,33,36,38-39H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4/b34-32?,35-24+,37-29-;;;
inchikey: YSIIVKXVQXRKAN-LRAZUDBQSA-J
formula: C31H18CuN6Na2O9S
cas number: 16071-86-6
cas number: 76199-83-2
cas number: 39403-88-8
cas number: 58601-87-9
cas number: 10300-74-0
iupac name: copper disodium 2-oxido-5-[4-[4-[(2Z)-2-[(5E)-5-[(2-oxido-5-sulfonatophenyl)hydrazinylidene]-2,6-dioxo-1-cyclohex-3-enylidene]hydrazinyl]phenyl]phenyl]diazenylbenzoate @en
notation: cidbn95
alternative label: C.I. Direct Brown 95
in scheme: Conceptschema Chemische Stoffen

americium 242
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000430
pubchem: 166958
in scheme: Conceptschema Chemische Stoffen
inchikey: LXQXZNRPTYVCNG-BJUDXGSMSA-N
cas number: 13981-54-9
notation: Am242
inchi: InChI=1S/Am/i1-1
formula: Am
iupac name: americium-242 @en
smiles: [Am]

mangaan 52
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: PWHULOQIROXLJO-OIOBTWANSA-N
notation: Mn52
inchi: InChI=1S/Mn/i1-3
in scheme: Conceptschema Chemische Stoffen
cas number: 14092-99-0
iupac name: manganese-52 @en
smiles: [Mn]
broader: CHEMONTID_0000426
formula: Mn
pubchem: 115131

diethyleenglycol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001167
formula: C4H10O3
notation: DC2yegcl
smiles: C(COCCO)O
in scheme: Conceptschema Chemische Stoffen
inchikey: MTHSVFCYNBDYFN-UHFFFAOYSA-N
cas number: 4669-26-5
cas number: 111-46-6
iupac name: 2-(2-Hydroxyethoxy)ethanol @en
pubchem: 8117
inchi: InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

pentachloorben-zeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: pentachloorbenzeen
inchikey: CEOCDNVZRAIOQZ-UHFFFAOYSA-N
cas number: 608-93-5
iupac name: 1,2,3,4,5-Pentachlorobenzene @en
pubchem: 11855
inchi: InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
in scheme: Conceptschema Chemische Stoffen
formula: C6HCl5
broader: CHEMONTID_0001099
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
notation: PeClBen

bromoxynil heptanoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3
inchikey: BHZWBQPHPLFZSV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 56634-95-8
broader: CHEMONTID_0002319
smiles: CCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br
pubchem: 62119
notation: BrOxnHpnat
formula: C14H15Br2NO2
iupac name: (2,6-dibromo-4-cyanophenyl) heptanoate @en

triamcinolon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: GFNANZIMVAIWHM-OBYCQNJPSA-N
notation: Tacnln
cas number: 83474-03-7
cas number: 124-94-7
iupac name: (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one @en
formula: C21H27FO6
broader: CHEMONTID_0003095
inchi: InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
pubchem: 31307

tetrabutyltin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1461-25-2
inchikey: AFCAKJKUYFLYFK-UHFFFAOYSA-N
alternative label: tetrabutyltin (tebt)
pubchem: 15098
inchi: InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;
notation: T4C4ySn
iupac name: Tetrabutylstannane @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004347
formula: C16H36Sn
smiles: CCCC[Sn](CCCC)(CCCC)CCCC

propetamfos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: proptfs
formula: C10H20NO4PS
cas number: 31218-83-4
pubchem: 6434101
smiles: CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C
in scheme: Conceptschema Chemische Stoffen
inchikey: BZNDWPRGXNILMS-CLFYSBASSA-N
broader: CHEMONTID_0000324
iupac name: propan-2-yl (Z)-3-(ethylamino-methoxyphosphinothioyl)oxybut-2-enoate @en
inchi: InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7-

antimoon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
is referenced by: LUC III 010
is referenced by: LUC I 002
smiles: [Sb]#[Sb]
broader: CHEMONTID_0000431
alternative label: Antimoon (Sb)
notation: Sb
pubchem: 23967
inchi: InChI=1S/2Sb
in scheme: Conceptschema Chemische Stoffen
cas number: 7440-36-0
cas number: 73063-67-9
cas number: 117011-47-9
inchikey: WUOBERCRSABHOT-UHFFFAOYSA-N
definition: antimoon en antimoonverbindingen, uitgedrukt als antimoon (Sb)
iupac name: stibanylidynestibane @en
formula: Sb2
comment: VLAR III (D3, diverse art) 'Sb'
comment: VLAR III (D3) 'antimoon'
comment: VLAR II bijl. 4.4.2 'antimoon en zijn verbindingen, uitgedrukt in Sb'
comment: VLAR II (D5) 'antimoon en antimoonverbindingen, uitgedrukt als antimoon (Sb)' en 'antimoon en antimoonverbindingen, uitgedrukt als Sb'
comment: VLAR III (D3) 'antimoon en antimoonverbindingen, uitgedrukt in Antimoon (Sb)'

ethefon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001302
cas number: 73020-07-2
cas number: 16672-87-0
cas number: 82375-49-3
inchi: InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
inchikey: UDPGUMQDCGORJQ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: C(CCl)P(=O)(O)O
iupac name: 2-Chloroethylphosphonic acid @en
formula: C2H6ClO3P
notation: etfn
pubchem: 27982

thoriumdioxide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: O=[Th]=O
cas number: 8006-33-5
cas number: 1314-20-1
cas number: 34321-99-8
in scheme: Conceptschema Chemische Stoffen
formula: O2Th
inchi: InChI=1S/2O.Th
inchikey: ZCUFMDLYAMJYST-UHFFFAOYSA-N
iupac name: dioxothorium @en
pubchem: 14808
notation: ThDO
broader: CHEMONTID_0000522

4-methylvaleriaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: 4-Methylpentanoic acid @en
cas number: 1866-94-0
cas number: 1331-16-4
cas number: 646-07-1
cas number: 38784-67-7
inchi: InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
inchikey: FGKJLKRYENPLQH-UHFFFAOYSA-N
pubchem: 12587
formula: C6H12O2
notation: 4C1yvlrazr
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003544
smiles: CC(C)CCC(=O)O

3-chloorpropaannitril
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 542-76-7
cas number: 2003-31-8
smiles: C(CCl)C#N
iupac name: ['3-chloroprop-2-ynenitrile', '3-Chloropropanenitrile'] @en
pubchem: 10963
notation: 3ClC3antl
broader: CHEMONTID_0000362
formula: C3H4ClN
inchi: InChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2
inchikey: GNHMRTZZNHZDDM-UHFFFAOYSA-N

fenofibrinezuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 64929
in scheme: Conceptschema Chemische Stoffen
inchikey: MQOBSOSZFYZQOK-UHFFFAOYSA-N
cas number: 42017-89-0
inchi: InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
broader: CHEMONTID_0000120
iupac name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid @en
notation: fenfbnzr
formula: C17H15ClO4

4,4'-dinitrostilbeen-2,2'-disulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 128-42-7
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
iupac name: ['5-nitro-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid', '5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid'] @en
notation: 44DNO2sb22Ds
inchikey: UETHPMGVZHBAFB-OWOJBTEDSA-N
formula: C14H10N2O10S2
broader: CHEMONTID_0004785
pubchem: 5282251

cefaclor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C15H14ClN3O4S
inchikey: QYIYFLOTGYLRGG-GPCCPHFNSA-N
notation: cefcr
pubchem: 51039
iupac name: (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid @en
broader: CHEMONTID_0001189
in scheme: Conceptschema Chemische Stoffen
cas number: 53994-73-3

difenhydramine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
formula: C17H21NO
iupac name: 2-[di(phenyl)methoxy]-N,N-dimethylethanamine @en
smiles: CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
pubchem: 3100
cas number: 58-73-1
broader: CHEMONTID_0000369
inchikey: ZZVUWRFHKOJYTH-UHFFFAOYSA-N
notation: Dfhdmne
in scheme: Conceptschema Chemische Stoffen

fluotrimazol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H
pubchem: 91600
notation: Fltmzl
in scheme: Conceptschema Chemische Stoffen
inchikey: LXMQMMSGERCRSU-UHFFFAOYSA-N
cas number: 31251-03-3
broader: CHEMONTID_0004524
iupac name: 1-[di(phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole @en
formula: C22H16F3N3

fenbendazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0004711
cas number: 43210-67-9
cas number: 53571-02-1
iupac name: methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
pubchem: 3334
formula: C15H13N3O2S
inchikey: HDDSHPAODJUKPD-UHFFFAOYSA-N
notation: fenbdzl

didesethylflurazepam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one @en
inchi: InChI=1S/C17H15ClFN3O/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21-10-16(23)22(15)8-7-20/h1-6,9H,7-8,10,20H2
in scheme: Conceptschema Chemische Stoffen
formula: C17H15ClFN3O
pubchem: 28647
broader: CHEMONTID_0004097
inchikey: MVAUDJDXZPBWOW-UHFFFAOYSA-N
cas number: 17617-59-3
notation: DdC2yfrzpm

iso-butylbenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 538-93-2
cas number: 28729-54-6
iupac name: 2-methylpropylbenzene @en
inchikey: KXUHSQYYJYAXGZ-UHFFFAOYSA-N
broader: CHEMONTID_0002811
smiles: CC(C)CC1=CC=CC=C1
inchi: InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
formula: C10H14
pubchem: 10870
notation: iC4yBen

perfluorooctaansulfonylfluoride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C8F18O2S
inchikey: BHFJBHMTEDLICO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28
pubchem: 9388
notation: PFOSF
broader: CHEMONTID_0004050
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride @en
cas number: 307-35-7

zirconium 95
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13967-71-0
smiles: [Zr]
pubchem: 91573
inchikey: QCWXUUIWCKQGHC-RNFDNDRNSA-N
notation: Zr95
iupac name: zirconium-95 @en
formula: Zr
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000426
inchi: InChI=1S/Zr/i1+4

natriumazide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/N3.Na/c1-3-2;/q-1;+1
inchikey: PXIPVTKHYLBLMZ-UHFFFAOYSA-N
pubchem: 33557
cas number: 108592-00-3
cas number: 12136-89-9
cas number: 157302-08-4
cas number: 20828-18-6
cas number: 26628-22-8
formula: N3Na
notation: Naazde
smiles: [N-]=[N+]=[N-].[Na+]
broader: CHEMONTID_0000525
in scheme: Conceptschema Chemische Stoffen
iupac name: SODIUM AZIDE @en

3,3',4,4',5,5'-hexachloorbifenyl (pcb169)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H
cas number: 1336-36-3
cas number: 32774-16-6
alternative label: PCB 169
alternative label: 3,3',4,4',5,5'-hexachloorbifenyl
alternative label: pcb 169
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030
comment: VLAR III (D3) 'dioxineachtige PCB's'
inchikey: ZHLICBPIXDOFFG-UHFFFAOYSA-N
iupac name: 1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene @en
is referenced by: LUC VI 002
pubchem: 36231
notation: PCB169
formula: C12H4Cl6

2,4-D 2-ethylhexylester
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 61286
in scheme: Conceptschema Chemische Stoffen
alternative label: 2,4-d 2-ethylhexylester
formula: C16H22Cl2O3
inchi: InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3
broader: CHEMONTID_0000417
smiles: CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl
cas number: 1928-43-4
cas number: 25168-26-7
iupac name: 2-ethylhexyl 2-(2,4-dichlorophenoxy)acetate @en
inchikey: QZSFJRIWRPJUOH-UHFFFAOYSA-N
notation: 24D2C2yC6yEs

epoxiconazole
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000253
alternative label: epoxiconazool
inchi: InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17+/m0/s1
notation: epxcnzl
in scheme: Conceptschema Chemische Stoffen
inchikey: ZMYFCFLJBGAQRS-DLBZAZTESA-N
pubchem: 11067463
cas number: 133855-98-8
formula: C17H13ClFN3O
iupac name: 1-[[(2S,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole @en

pravastatine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C23H36O7
notation: pravstne
iupac name: (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid @en
inchikey: TUZYXOIXSAXUGO-PZAWKZKUSA-N
broader: CHEMONTID_0000299
pubchem: 54687
inchi: InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
in scheme: Conceptschema Chemische Stoffen
cas number: 81093-37-0

dimethylsulfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAREM II bijlage 4.4.2
broader: CHEMONTID_0001184
cas number: 98478-67-2
cas number: 62086-97-9
cas number: 139443-72-4
cas number: 77-78-1
inchi: InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3
notation: DC1ySO4
in scheme: Conceptschema Chemische Stoffen
formula: C2H6O4S
inchikey: VAYGXNSJCAHWJZ-UHFFFAOYSA-N
iupac name: Dimethyl sulfate @en
smiles: COS(=O)(=O)OC
pubchem: 6497

cholesterol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 5997
inchi: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
formula: C27H46O
broader: CHEMONTID_0001469
cas number: 22243-67-0
cas number: 209124-38-9
cas number: 218965-24-3
cas number: 80356-14-5
cas number: 57-88-5
in scheme: Conceptschema Chemische Stoffen
notation: cholEsrol
inchikey: HVYWMOMLDIMFJA-DPAQBDIFSA-N
iupac name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol @en

2-ethylhexylglycidylether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C11H22O2
cas number: 2461-15-6
cas number: 145928-91-2
cas number: 98913-53-2
cas number: 102640-36-8
inchikey: BBBUAWSVILPJLL-UHFFFAOYSA-N
pubchem: 17162
notation: 2C2yC6ygcdEt
inchi: InChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3
smiles: CCCCC(CC)COCC1CO1
iupac name: 2-(2-ethylhexoxymethyl)oxirane @en
broader: CHEMONTID_0000159
in scheme: Conceptschema Chemische Stoffen

(1-ethyldecyl)-benzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3
formula: C18H30
in scheme: Conceptschema Chemische Stoffen
iupac name: dodecan-3-ylbenzene @en
smiles: CCCCCCCCCC(CC)C1=CC=CC=C1
broader: CHEMONTID_0002811
inchikey: PGVOXXHNGYYHHB-UHFFFAOYSA-N
pubchem: 16979
cas number: 2400-00-2
notation: 1C2yC10yBen

broomoxynil-octanoaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: DQKWXTIYGWPGOO-UHFFFAOYSA-N
smiles: CCCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br
inchi: InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3
notation: BrOxnOcnat
iupac name: (2,6-dibromo-4-cyanophenyl) octanoate @en
cas number: 33964-24-8
cas number: 86702-80-9
cas number: 1689-99-2
in scheme: Conceptschema Chemische Stoffen
pubchem: 15533
formula: C15H17Br2NO2
broader: CHEMONTID_0002319

C.I. Acid Red 52
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 12777-86-5
cas number: 2609-88-3
cas number: 184827-20-1
cas number: 104298-69-3
cas number: 204996-41-8
cas number: 74871-35-5
cas number: 39470-83-2
cas number: 61261-16-3
cas number: 3520-42-1
cas number: 192230-72-1
cas number: 103947-10-0
notation: ciard52
in scheme: Conceptschema Chemische Stoffen
formula: C29H33N2NaO7S2
pubchem: 62500
alternative label: c.i. acid red 52
broader: CHEMONTID_0000200
inchikey: XJENLUNLXRJLEZ-UHFFFAOYSA-M
inchi: InChI=1S/C29H34N2O7S2.Na/c1-7-30(8-2)24-16-26-22(13-18(24)5)29(21-12-11-20(39(32,33)34)15-28(21)40(35,36)37)23-14-19(6)25(17-27(23)38-26)31(9-3)10-4;/h11-17H,7-10H2,1-6H3,(H-,32,33,34,35,36,37);/q;+1/p-1
iupac name: sodium 4-(3-diethylamino-6-diethylazaniumylidene-2,7-dimethylxanthen-9-yl)benzene-1,3-disulfonate @en

chloorfenapyr
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: CWFOCCVIPCEQCK-UHFFFAOYSA-N
broader: CHEMONTID_0002334
in scheme: Conceptschema Chemische Stoffen
formula: C15H11BrClF3N2O
notation: Clfapr
pubchem: 91778
iupac name: 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile @en
cas number: 122453-73-0
smiles: CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl

para-(tertiair-amyl)fenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3
pubchem: 6643
iupac name: 4-(2-methylbutan-2-yl)phenol @en
smiles: CCC(C)(C)C1=CC=C(C=C1)O
notation: pttamFol
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002811
formula: C11H16O
inchikey: NRZWYNLTFLDQQX-UHFFFAOYSA-N
cas number: 80-46-6
alternative label: 4-tert-pentylfenol

etridiazol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole @en
formula: C5H5Cl3N2OS
in scheme: Conceptschema Chemische Stoffen
inchikey: KQTVWCSONPJJPE-UHFFFAOYSA-N
inchi: InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3
cas number: 2593-15-9
smiles: CCOC1=NC(=NS1)C(Cl)(Cl)Cl
pubchem: 17432
notation: eTDazl
broader: CHEMONTID_0000128

trichlooramine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: NTCl
formula: Cl3N
is referenced by: LUC VII 002
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000549
smiles: N(Cl)(Cl)Cl
inchi: InChI=1S/Cl3N/c1-4(2)3
pubchem: 61437
iupac name: trichloroamine @en
cas number: 10025-85-1
alternative label: stikstoftrichloride
inchikey: QEHKBHWEUPXBCW-UHFFFAOYSA-N

1,3,5-trimethylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
is referenced by: LUC IV 011
is referenced by: LUC IV 001
is referenced by: LUC IV 000
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
formula: C9H12
inchi: InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
iupac name: 1,3,5-Trimethylbenzene @en
notation: 135TC1yBen
inchikey: AUHZEENZYGFFBQ-UHFFFAOYSA-N
cas number: 108-67-8
comment: VLAR II bijl. 4.4.2 'trimethylbenzeen'
pubchem: 7947
smiles: CC1=CC(=CC(=C1)C)C

benazolin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: benzln
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid @en
inchikey: HYJSGOXICXYZGS-UHFFFAOYSA-N
pubchem: 19662
broader: CHEMONTID_0000060
smiles: C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O
cas number: 3813-05-6
inchi: InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)
formula: C9H6ClNO3S

diazepam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: valum
broader: CHEMONTID_0004097
cas number: 53320-84-6
cas number: 439-14-5
cas number: 11100-37-1
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
inchikey: AAOVKJBEBIDNHE-UHFFFAOYSA-N
pubchem: 3016
iupac name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one @en
alternative label: valium
formula: C16H13ClN2O

trifenyltinhydroxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 76-87-9
inchikey: NRHFWOJROOQKBK-UHFFFAOYSA-N
formula: C18H17OSn
pubchem: 6327657
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;
broader: CHEMONTID_0002279
iupac name: tri(phenyl)tin hydrate @en

2,2',5-trichloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
cas number: 37680-65-2
iupac name: 1,4-dichloro-2-(2-chlorophenyl)benzene @en
formula: C12H7Cl3
notation: PCB18
smiles: C1=CC=C(C(=C1)C2=C(C=CC(=C2)Cl)Cl)Cl
pubchem: 37803
inchi: InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H
inchikey: DCMURXAZTZQAFB-UHFFFAOYSA-N

1,1-dichloorpropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 11DClC3a
broader: CHEMONTID_0001516
inchi: InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3
pubchem: 6573
smiles: CCC(Cl)Cl
iupac name: 1,1-DICHLOROPROPANE @en
formula: C3H6Cl2
in scheme: Conceptschema Chemische Stoffen
cas number: 78-99-9
inchikey: WIHMGGWNMISDNJ-UHFFFAOYSA-N

chloorazijnzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: FOCAUTSVDIKZOP-UHFFFAOYSA-N
pubchem: 300
broader: CHEMONTID_0003000
inchi: InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
smiles: C(C(=O)O)Cl
in scheme: Conceptschema Chemische Stoffen
notation: ClHAc
iupac name: 2-chloroacetic acid @en
cas number: 79-11-8
formula: C2H3ClO2

dibutyltindichloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/2C4H9.2Cl.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;;;
cas number: 683-18-1
smiles: 0
iupac name: dibutyl-dichlorostannane @en
inchikey: QBJCDRCOQAVMJK-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: 0

3-ethyl-2,4-dimethylpentaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: VLHAGZNBWKUMRW-UHFFFAOYSA-N
broader: CHEMONTID_0004620
smiles: CCC(C(C)C)C(C)C
formula: C9H20
cas number: 1068-87-7
inchi: InChI=1S/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3
in scheme: Conceptschema Chemische Stoffen
notation: 3C2y24DC1yC5
iupac name: 3-Ethyl-2,4-dimethylpentane @en
pubchem: 14040

tetramethylureum
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: T4C1yurum
cas number: 632-22-4
broader: CHEMONTID_0000517
iupac name: 1,1,3,3-Tetramethylurea @en
inchi: InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
formula: C5H12N2O
pubchem: 12437
inchikey: AVQQQNCBBIEMEU-UHFFFAOYSA-N
smiles: CN(C)C(=O)N(C)C
in scheme: Conceptschema Chemische Stoffen

argon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 23968
cas number: 24494-51-7
cas number: 13473-05-7
cas number: 75714-55-5
cas number: 137736-93-7
cas number: 7440-37-1
cas number: 50938-66-4
iupac name: ARGON @en
inchikey: XKRFYHLGVUSROY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Ar
notation: Ar
smiles: [Ar]
formula: Ar
broader: CHEMONTID_0000433

3,5-dinitrofenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 586-11-8
pubchem: 11459
notation: 35DNO2Fol
inchikey: UEMBNLWZFIWQFL-UHFFFAOYSA-N
broader: CHEMONTID_0004505
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H4N2O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H
formula: C6H4N2O5
smiles: C1=C(C=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]
iupac name: 3,5-DINITROPHENOL @en

cyclohexaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001016
iupac name: Cyclohexane @en
cas number: 68411-76-7
cas number: 25012-93-5
cas number: 110-82-7
smiles: C1CCCCC1
inchikey: XDTMQSROBMDMFD-UHFFFAOYSA-N
notation: cycC6a
formula: C6H12
pubchem: 8078
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

laminaran
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16?,17?,18?/m1/s1
notation: lamnrn
in scheme: Conceptschema Chemische Stoffen
formula: C18H32O16
broader: CHEMONTID_0000198
iupac name: (3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol @en
cas number: 9008-22-4
inchikey: DBTMGCOVALSLOR-VPNXCSTESA-N
pubchem: 439306

isosafrol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: VHVOLFRBFDOUSH-NSCUHMNNSA-N
pubchem: 637796
notation: isfl
broader: CHEMONTID_0000296
smiles: CC=CC1=CC2=C(C=C1)OCO2
cas number: 4043-71-4
cas number: 120-58-1
cas number: 191281-03-5
iupac name: ['5-Prop-1-enyl-1,3-benzodioxole', '5-[(E)-prop-1-enyl]-1,3-benzodioxole'] @en
formula: C10H10O2
inchi: InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
in scheme: Conceptschema Chemische Stoffen

2,3,4,4',5,6-hexachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: BTOCFTAWZMMTNB-UHFFFAOYSA-N
inchi: InChI=1S/C12H4Cl6/c13-6-3-1-5(2-4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H
iupac name: 1,2,3,4,5-pentachloro-6-(4-chlorophenyl)benzene @en
broader: CHEMONTID_0003030
formula: C12H4Cl6
in scheme: Conceptschema Chemische Stoffen
cas number: 41411-63-6
notation: PCB166
pubchem: 63077

boortrifluoride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: Trifluoroborane @en
cas number: 109704-87-2
cas number: 372-85-0
cas number: 15875-25-9
cas number: 20654-88-0
cas number: 155123-44-7
cas number: 7637-07-2
inchikey: WTEOIRVLGSZEPR-UHFFFAOYSA-N
notation: BTF
smiles: B(F)(F)F
inchi: InChI=1S/BF3/c2-1(3)4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000584
formula: BF3
pubchem: 6356

estriol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
broader: CHEMONTID_0003570
formula: C18H24O3
notation: esTol
in scheme: Conceptschema Chemische Stoffen
iupac name: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol @en
smiles: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
alternative label: oestriol
inchikey: PROQIPRRNZUXQM-ZXXIGWHRSA-N
cas number: 50-27-1
pubchem: 5756

nitrothal-isopropyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C
notation: nittliC3y
pubchem: 43704
iupac name: dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate @en
broader: CHEMONTID_0004010
inchi: InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3
inchikey: VJAWBEFMCIINFU-UHFFFAOYSA-N
cas number: 10552-74-6
formula: C14H17NO6

foraat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CCOP(=S)(OCC)SCSCC
iupac name: diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidenephosphorane @en
inchikey: BULVZWIRKLYCBC-UHFFFAOYSA-N
cas number: 298-02-2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
pubchem: 4790
formula: C7H17O2PS3
notation: fort
broader: CHEMONTID_0004164

heptylbenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3
smiles: CCCCCCCC1=CC=CC=C1
cas number: 1078-71-3
pubchem: 14115
broader: CHEMONTID_0002279
iupac name: Heptylbenzene @en
inchikey: LBNXAWYDQUGHGX-UHFFFAOYSA-N
notation: C7yBen
in scheme: Conceptschema Chemische Stoffen
formula: C13H20

clomazon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one @en
inchi: InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
formula: C12H14ClNO2
pubchem: 54778
cas number: 89493-06-1
cas number: 81777-89-1
notation: clomzn
inchikey: KIEDNEWSYUYDSN-UHFFFAOYSA-N
smiles: CC1(CON(C1=O)CC2=CC=CC=C2Cl)C
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001099

distikstofoxide (n2o)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: GQPLMRYTRLFLPF-UHFFFAOYSA-N
cas number: 130835-71-1
cas number: 175876-44-5
cas number: 147527-07-9
cas number: 10024-97-2
cas number: 126386-65-0
cas number: 129451-49-6
alternative label: distikstofoxide (N2O)
alternative label: distikstofoxide (lachgas)
iupac name: nitrous oxide @en
broader: CHEMONTID_0000553
smiles: [N-]=[N+]=O
notation: N2O
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II (D1, definities broeikasgassen)
comment: VLAR III (D3) 'N2O'
formula: N2O
pubchem: 948
inchi: InChI=1S/N2O/c1-2-3

triadimenol-A
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: TadmnlA
inchi: InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13-/m0/s1
alternative label: triadimenol-a
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002341
pubchem: 92416
inchikey: BAZVSMNPJJMILC-STQMWFEESA-N
iupac name: (1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol @en
formula: C14H18ClN3O2
cas number: 89482-17-7

tri-tert-butylmethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC(C)(C)C(C(C)(C)C)(C(C)(C)C)O
cas number: 41902-42-5
notation: TttC4yC1ol
iupac name: 3-tert-butyl-2,2,4,4-tetramethylpentan-3-ol @en
formula: C13H28O
pubchem: 142558
inchikey: LIUBOLYWYDGCSJ-UHFFFAOYSA-N
inchi: InChI=1S/C13H28O/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h14H,1-9H3
broader: CHEMONTID_0001670
in scheme: Conceptschema Chemische Stoffen

benzyl 4-hydroxybenzoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2
formula: C14H12O3
in scheme: Conceptschema Chemische Stoffen
notation: benz4HOxbzat
broader: CHEMONTID_0004702
cas number: 94-18-8
inchikey: MOZDKDIOPSPTBH-UHFFFAOYSA-N
pubchem: 7180
iupac name: Phenylmethyl 4-hydroxybenzoate @en
smiles: C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O

captan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 37335-15-2
cas number: 120528-25-8
cas number: 1321-42-2
cas number: 133-06-2
pubchem: 8606
broader: CHEMONTID_0001820
inchikey: LDVVMCZRFWMZSG-UHFFFAOYSA-N
inchi: InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2
formula: C9H8Cl3NO2S
iupac name: 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione @en
smiles: C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
notation: captn

dimethylsulfamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: DC1ysAd
formula: C2H8N2O2S
iupac name: (methyl-sulfamoylamino)methane @en
smiles: CN(C)S(=O)(=O)N
broader: CHEMONTID_0001183
pubchem: 134472
inchi: InChI=1S/C2H8N2O2S/c1-4(2)7(3,5)6/h1-2H3,(H2,3,5,6)
in scheme: Conceptschema Chemische Stoffen
inchikey: QMHAHUAQAJVBIW-UHFFFAOYSA-N
cas number: 3984-14-3

pyrantel pamoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: ['4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine', '4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine'] @en
pubchem: 5281033
inchi: InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+
cas number: 122157-48-6
cas number: 22204-24-6
broader: CHEMONTID_0002421
inchikey: AQXXZDYPVDOQEE-MXDQRGINSA-N
formula: C34H30N2O6S
notation: pyrtpmat
in scheme: Conceptschema Chemische Stoffen

pyridaben
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: DWFZBUWUXWZWKD-UHFFFAOYSA-N
pubchem: 91754
formula: C19H25ClN2OS
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3
iupac name: 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one @en
notation: pyrdbn
broader: CHEMONTID_0002811
cas number: 96489-71-3

triclopyr
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: Tcpr
formula: C7H4Cl3NO3
iupac name: 2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid @en
inchikey: REEQLXCGVXDJSQ-UHFFFAOYSA-N
broader: CHEMONTID_0003971
smiles: C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl
pubchem: 41428
cas number: 69653-72-1
cas number: 55335-06-3
inchi: InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)
in scheme: Conceptschema Chemische Stoffen

feofytine a
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: DQVGVYRSVYCJRR-HTLTWAQSSA-N
pubchem: 5351507
broader: CHEMONTID_0000716
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56-57H,1,14-25,27H2,2-12H3/b34-26+,42-28?,43-29?,44-28?,45-30?,46-29?,47-30?,52-50?
cas number: 603-17-8
formula: C55H74N4O5
iupac name: methyl 16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate @en

heptachloornorborneen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: PXTADLCAVHRXCA-UHFFFAOYSA-N
broader: CHEMONTID_0002863
iupac name: 1,2,4,5,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene @en
smiles: C1=C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl
notation: HpClnbnn
formula: C7H3Cl7
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h1,3-4H
pubchem: 34308
cas number: 28680-45-7

geraniol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 624-15-7
cas number: 68311-14-8
cas number: 8007-13-4
cas number: 106-24-1
pubchem: 637566
smiles: CC(=CCCC(=CCO)C)C
broader: CHEMONTID_0001127
iupac name: ['(2E)-3,7-dimethylocta-2,6-dien-1-ol', '3,7-dimethylocta-2,6-dien-1-ol'] @en
inchikey: GLZPCOQZEFWAFX-JXMROGBWSA-N
formula: C10H18O
notation: gernl
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+

2-methyllactonitril
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 6406
iupac name: 2-Hydroxy-2-methylpropanenitrile @en
cas number: 75-86-5
cas number: 59182-86-4
inchikey: MWFMGBPGAXYFAR-UHFFFAOYSA-N
broader: CHEMONTID_0001670
formula: C4H7NO
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
smiles: CC(C)(C#N)O
notation: 2C1yltntl

3,5-dimethylpyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 11565
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC(=CN=C1)C
formula: C7H9N
inchikey: HWWYDZCSSYKIAD-UHFFFAOYSA-N
cas number: 591-22-0
notation: 35DC1yprdne
broader: CHEMONTID_0004152
inchi: InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3
iupac name: 3,5-Dimethylpyridine @en

n-butylacetaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
is referenced by: LUC IV 012
is referenced by: LUC IV 011
is referenced by: LUC IV 004
is referenced by: LUC IV 000
notation: C4yactt
smiles: CCCCOC(=O)C
inchikey: DKPFZGUDAPQIHT-UHFFFAOYSA-N
formula: C6H12O2
in scheme: Conceptschema Chemische Stoffen
cas number: 123-86-4
broader: CHEMONTID_0001238
alternative label: butylacetaat
comment: VLAR II bijl. 4.4.2
iupac name: Butyl acetate @en
pubchem: 31272
inchi: InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3

fenamifos-sulfoxide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 31972-43-7
cas number: 124793-11-9
inchikey: LUQMWGMGWJEGAT-UHFFFAOYSA-N
formula: C13H22NO4PS
broader: CHEMONTID_0004632
notation: fenamfSO
pubchem: 36027
smiles: CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)C)C
inchi: InChI=1S/C13H22NO4PS/c1-6-17-19(15,14-10(2)3)18-12-7-8-13(20(5)16)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)
iupac name: N-[ethoxy-(3-methyl-4-methylsulfinylphenoxy)phosphoryl]propan-2-amine @en

campheen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3
smiles: CC1(C2CCC(C2)C1=C)C
broader: CHEMONTID_0001564
inchikey: CRPUJAZIXJMDBK-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: campn
iupac name: 6,6-dimethyl-5-methylidenebicyclo[2.2.1]heptane @en
cas number: 5794-04-7
cas number: 79-92-5
cas number: 565-00-4
pubchem: 6616
formula: C10H16

p-menthaan-3,8-diol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001401
pubchem: 556998
formula: C10H20O2
in scheme: Conceptschema Chemische Stoffen
smiles: CC1CCC(C(C1)O)C(C)(C)O
cas number: 42822-86-6
iupac name: 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol @en
notation: p-ment38Dol
inchi: InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
inchikey: LMXFTMYMHGYJEI-UHFFFAOYSA-N

2,2-dibroom-2-cyaanaceetamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: C(#N)C(C(=O)N)(Br)Br
inchi: InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)
inchikey: UUIVKBHZENILKB-UHFFFAOYSA-N
notation: 22DBr2caacam
pubchem: 25059
iupac name: 2,2-DIBROMO-2-CYANOACETAMIDE @en
broader: CHEMONTID_0001662
formula: C3H2Br2N2O
cas number: 10222-01-2
in scheme: Conceptschema Chemische Stoffen

oxadiargyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: oxdagl
cas number: 39807-15-3
in scheme: Conceptschema Chemische Stoffen
formula: C15H14Cl2N2O3
inchikey: DVOODWOZJVJKQR-UHFFFAOYSA-N
broader: CHEMONTID_0002564
pubchem: 94498
iupac name: 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one @en

oxyclozanide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C13H6Cl5NO3
broader: CHEMONTID_0004713
cas number: 2277-92-1
notation: Oxcznde
iupac name: 2,3,5-Trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide @en
inchi: InChI=1S/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)
inchikey: JYWIYHUXVMAGLG-UHFFFAOYSA-N
pubchem: 16779

2,2,4-trimethyl-1,3-pentaandiol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001661
cas number: 144-19-4
cas number: 127894-68-2
inchikey: JCTXKRPTIMZBJT-UHFFFAOYSA-N
pubchem: 8946
inchi: InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
in scheme: Conceptschema Chemische Stoffen
notation: 224TC1y13C5a
iupac name: 2,2,4-Trimethylpentane-1,3-diol @en
smiles: CC(C)C(C(C)(C)CO)O
formula: C8H18O2

climbazole
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3
inchikey: OWEGWHBOCFMBLP-UHFFFAOYSA-N
cas number: 38083-17-9
broader: CHEMONTID_0002341
pubchem: 37907
notation: climbzle
formula: C15H17ClN2O2
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one @en

methoxyethylkwikchloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C3H7ClHgO
broader: CHEMONTID_0001167
iupac name: 2-Methoxyethylmercury chloride @en
smiles: COCC[Hg+].[Cl-]
pubchem: 31273
inchikey: VJTAZCKMHINUKO-UHFFFAOYSA-M
cas number: 123-88-6
notation: C1oxC2yHgCl
inchi: InChI=1S/C3H7O.ClH.Hg/c1-3-4-2;;/h1,3H2,2H3;1H;/q;;+1/p-1

2,2,5,5,-tetramethyl-tetrahydrofuran
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C8H16O
cas number: 15045-43-9
notation: 2255T4C4yT4H
broader: CHEMONTID_0002648
in scheme: Conceptschema Chemische Stoffen
pubchem: 27010
iupac name: 2,2,5,5-tetramethyloxolane @en
inchi: InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3
inchikey: BBLDTXFLAHKYFJ-UHFFFAOYSA-N
smiles: CC1(CCC(O1)(C)C)C

curium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: CURIUM @en
inchi: InChI=1S/Cm
notation: Cm
in scheme: Conceptschema Chemische Stoffen
pubchem: 23979
broader: CHEMONTID_0000430
inchikey: NIWWFAAXEMMFMS-UHFFFAOYSA-N
cas number: 7440-51-9
smiles: [Cm]
formula: Cm

aspartaam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C14H18N2O5
inchi: InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)
cas number: 7421-84-3
cas number: 22839-47-0
cas number: 53906-69-7
iupac name: 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid @en
smiles: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N
pubchem: 2242
notation: asptm
in scheme: Conceptschema Chemische Stoffen
inchikey: IAOZJIPTCAWIRG-UHFFFAOYSA-N
broader: CHEMONTID_0000348

myosmine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 532-12-7
iupac name: 3-(4,5-dihydro-3H-pyrrol-2-yl)pyridine @en
in scheme: Conceptschema Chemische Stoffen
inchikey: DPNGWXJMIILTBS-UHFFFAOYSA-N
smiles: C1CC(=NC1)C2=CN=CC=C2
formula: C9H10N2
notation: myomne
pubchem: 442649
inchi: InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2
broader: CHEMONTID_0000089

succinaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C(CC=O)C=O
inchi: InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2
inchikey: PCSMJKASWLYICJ-UHFFFAOYSA-N
notation: succAh
formula: C4H6O2
cas number: 638-37-9
iupac name: BUTANEDIAL @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 12524
broader: CHEMONTID_0002434

Chemische stoffen die in lucht gemeten worden.
type: Collection
member: koolstofdisulfide
member: chloorbenzeen
member: propionzuur
member: furfurylalcohol
member: 1,2,3,4,6,7,8-heptachloordibenzo-para-dioxine
member: meta-xyleen
member: hydrazine
member: pcb77
member: 1-octeen
member: ethanol
member: 1,2,3,4,6,7,8,9-octachloordibenzofuraan
member: dichloor
member: kwik
member: vinylacetaat
member: waterstofcyanide
member: ortho-xyleen
member: styreen
member: benzeen
member: 2,4-xylenol
member: anthraceen
member: 2,6-dimethylheptaan-4-on
member: trichloorethyleen
member: 1-hexeen
member: fosgeen
member: 1,2,3,4,6,7,8,9-octachloordibenzo-p-dioxine
member: indeno(1,2,3-c,d)pyreen
member: stikstofdioxide
member: 1,3,5-trimethylbenzeen
member: monomethylamine
member: koolstoftetrachloride
member: ethylacetaat
member: 1-noneen
member: 1,2,3,7,8,9-hexachloordibenzodioxine
member: naftaleen
member: butanal
member: lood
member: diethylamine
member: diisopropylether
member: 2-butoxyethanol
member: 2,3,4,6,7,8-hexachloordibenzofuraan
member: stikstofmonoxide
member: 2,3',4,4',5-pentachloorbifenyl
member: vanadium
member: polyethyleenglycol
member: cyclohexanon
member: 2,3,7,8-tetrachloordibenzofuraan
member: fenantreen
member: 1-hepteen
member: propionaldehyde
member: 2,4-tolueendi-isocyanaat
member: 2-propanol
member: 2-naftylamine
member: furfural
member: 4-methyl-2-pentanon
member: 1,2-epoxypropaan
member: 1,2,3,7,8-pentachloordibenzofuran
member: 3,3’-dichloorbenzidine
member: ethyleenoxide
member: n-butylacetaat
member: acenaftyleen
member: zuurstof
member: zwaveltrioxide
member: 2,3,3',4,4',5,5 '-heptachlorobifenyl
member: pcb 167
member: distikstofoxide (n2o)
member: dimethylformamide
member: PCB 81
member: 1-chloor-2,3-epoxypropaan (epichloorhydrine)
member: 1,4-dioxaan
member: acetaldehyde
member: para-xyleen
member: koolstofdioxide
member: n-propanol
member: t-butanol
member: platina
member: waterstofsulfide
member: ethylacrylaat
member: acrylonitrile
member: n-pentaan

propionzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 784139-72-6
cas number: 3349-08-4
cas number: 68990-37-4
cas number: 68937-68-8
cas number: 79-09-4
inchikey: XBDQKXXYIPTUBI-UHFFFAOYSA-N
notation: propozr
broader: CHEMONTID_0001205
in scheme: Conceptschema Chemische Stoffen
formula: C3H6O2
iupac name: Propanoic acid @en
comment: VLAREM II bijlage 4.4.2
smiles: CCC(=O)O
pubchem: 1032
inchi: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)

hydrazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 75013-58-0
cas number: 37836-27-4
cas number: 31886-26-7
cas number: 119775-10-9
cas number: 634-62-8
cas number: 302-01-2
broader: CHEMONTID_0000434
comment: VLAREM II bijlage 4.4.2
inchi: InChI=1S/H4N2/c1-2/h1-2H2
iupac name: Hydrazine @en
formula: H4N2
smiles: NN
notation: hydzne
inchikey: OAKJQQAXSVQMHS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 9321

ethanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CCO
cas number: 64-17-5
cas number: 121182-78-3
cas number: 68475-56-9
cas number: 71076-86-3
cas number: 8000-16-6
cas number: 71329-38-9
cas number: 8024-45-1
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
comment: VLAR II Art 5.23.1.1.
inchikey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
pubchem: 702
is referenced by: LUC IV 012
is referenced by: LUC IV 000
is referenced by: LUC IV 009
inchi: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
formula: C2H6O
broader: CHEMONTID_0000286
notation: C2OH
iupac name: ethanol @en

benzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 001
comment: VLAR II bijl. 2.5.3
comment: VLAR II bijl. 4.4.2
comment: VLAR II (D2) diverse art.
comment: VLAR III (D3, diverse art)
notation: Ben
formula: C6H6
inchi: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
broader: CHEMONTID_0002279
cas number: 174973-66-1
cas number: 27271-55-2
cas number: 26181-88-4
cas number: 68956-52-5
cas number: 71-43-2
cas number: 54682-86-9
smiles: C1=CC=CC=C1
pubchem: 241
in scheme: Conceptschema Chemische Stoffen
inchikey: UHOVQNZJYSORNB-UHFFFAOYSA-N
iupac name: BENZENE @en

1-noneen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3
cas number: 68855-57-2
cas number: 124-11-8
cas number: 68526-55-6
smiles: CCCCCCCC=C
broader: CHEMONTID_0004476
pubchem: 31285
is referenced by: LUC IV 011
iupac name: non-1-ene @en
inchikey: JRZJOMJEPLMPRA-UHFFFAOYSA-N
notation: 1C9e
in scheme: Conceptschema Chemische Stoffen
formula: C9H18

diethylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C4H11N
inchikey: HPNMFZURTQLUMO-UHFFFAOYSA-N
iupac name: N-ethylethanamine @en
comment: VLAREM II bijlage 4.4.2
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
cas number: 109-89-7
inchi: InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3
smiles: CCNCC
alternative label: di-ethylamine
pubchem: 8021
notation: DC2yAe

stikstofmonoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000554
cas number: 14332-28-6
cas number: 90880-94-7
cas number: 51005-20-0
cas number: 51005-21-1
cas number: 53851-19-7
cas number: 10102-43-9
cas number: 90452-29-2
alternative label: stikstofmonoxide (NO)
pubchem: 945
inchi: InChI=1S/HNO/c1-2/h1H
inchikey: ODUCDPQEXGNKDN-UHFFFAOYSA-N
notation: NO
is referenced by: LUC II 001
iupac name: nitroxyl @en
smiles: N=O
comment: VLAR II bijl. 2.5.3 'NO'
comment: VLAR II bijl. 4.4.2
formula: HNO
in scheme: Conceptschema Chemische Stoffen

cyclohexanon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C6H10O
cas number: 9075-99-4
cas number: 108-94-1
cas number: 9003-41-2
cas number: 11119-77-0
is referenced by: LUC IV 012
is referenced by: LUC IV 007
is referenced by: LUC IV 000
smiles: C1CCC(=O)CC1
iupac name: Cyclohexanone @en
notation: cycC6on
pubchem: 7967
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
broader: CHEMONTID_0003487
inchikey: JHIVVAPYMSGYDF-UHFFFAOYSA-N
comment: VLAR II bijl. 4.4.2

2,3,7,8-tetrachloordibenzofuraan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: PCDF83
formula: C12H4Cl4O
iupac name: 2,3,7,8-TETRACHLORODIBENZOFURAN @en
alternative label: 2,3,7,8-tetrachloordibenzofuran
alternative label: 2,3,7,8-tetrachloordibenzofuraan (tecdf)
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
pubchem: 39929
smiles: C1=C2C3=CC(=C(C=C3OC2=CC(=C1Cl)Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H
cas number: 51207-31-9
broader: CHEMONTID_0003029
inchikey: KSMVNVHUTQZITP-UHFFFAOYSA-N
is referenced by: LUC VI 002

2-propanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
alternative label: isopropanol
cas number: 8013-70-5
cas number: 5131-95-3
cas number: 67-63-0
is referenced by: LUC IV 000
is referenced by: LUC IV 009
is referenced by: LUC IV 012
in scheme: Conceptschema Chemische Stoffen
pubchem: 3776
inchi: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
iupac name: Propan-2-ol @en
notation: 2C3ol
broader: CHEMONTID_0001661
smiles: CC(C)O
formula: C3H8O
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
inchikey: KFZMGEQAYNKOFK-UHFFFAOYSA-N

4-methyl-2-pentanon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC(C)CC(=O)C
alternative label: 4-methyl-2-pentanon (mibk)
alternative label: 4-methyl-2-pentanon (MIBK)
is referenced by: LUC IV 012
is referenced by: LUC IV 007
is referenced by: LUC IV 000
formula: C6H12O
inchi: InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
broader: CHEMONTID_0000118
pubchem: 7909
cas number: 108-10-1
inchikey: NTIZESTWPVYFNL-UHFFFAOYSA-N
iupac name: 4-Methylpentan-2-one @en
comment: VLAR II bijl. 4.4.2
notation: 4C1y2C5on
in scheme: Conceptschema Chemische Stoffen

1,2,3,7,8-pentachloordibenzofuran
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
is referenced by: LUC VI 002
alternative label: 1,2,3,7,8-pentachloordibenzofuraan
alternative label: 1,2,3,7,8-pentachloordibenzofuraan (pecdf)
notation: PCDF94
inchikey: SBMIVUVRFPGOEB-UHFFFAOYSA-N
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
pubchem: 42138
iupac name: 1,2,3,7,8-PENTACHLORODIBENZOFURAN @en
formula: C12H3Cl5O
cas number: 57117-41-6
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003029
inchi: InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H

zuurstof
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: Molecular oxygen @en
smiles: O=O
cas number: 7782-44-7
cas number: 80217-98-7
cas number: 58238-79-2
cas number: 1338-93-8
cas number: 80937-33-3
cas number: 12185-07-8
cas number: 14797-70-7
alternative label: Zuurstof (O2)
notation: O2
pubchem: 977
inchi: InChI=1S/O2/c1-2
is referenced by: LUC II 001
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000554
inchikey: MYMOFIZGZYHOMD-UHFFFAOYSA-N
formula: O2

2,3,3',4,4',5,5 '-heptachlorobifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0003030
alternative label: PCB 189
alternative label: pcb 189
alternative label: 2,3,3',4,4',5,5'-heptachloorbifenyl (pcb189)
in scheme: Conceptschema Chemische Stoffen
cas number: 39635-31-9
inchikey: XUAWBXBYHDRROL-UHFFFAOYSA-N
is referenced by: LUC VI 002
iupac name: 1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene @en
comment: VLAR III (D3) 'dioxineachtige PCB's'
pubchem: 38306
inchi: InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H
formula: C12H3Cl7
notation: PCB189

PCB 81
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: BHWVLZJTVIYLIV-UHFFFAOYSA-N
alternative label: 3,4,4',5-tetrachlorobifenyl
alternative label: 3,4,4',5-tetrachloorbifenyl (pcb81)
alternative label: pcb 81
comment: VLAR III (D3) 'dioxineachtige PCB's'
iupac name: 1,2,3-trichloro-5-(4-chlorophenyl)benzene @en
formula: C12H6Cl4
smiles: C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl
cas number: 70362-50-4
broader: CHEMONTID_0003030
inchi: InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H
notation: PCB81
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC VI 002
pubchem: 51043

1,4-dioxaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
is referenced by: LUC IV 011
is referenced by: LUC IV 008
is referenced by: LUC IV 000
smiles: C1COCCO1
broader: CHEMONTID_0001313
iupac name: 1,4-Dioxane @en
cas number: 39449-24-6
cas number: 54841-74-6
cas number: 123-91-1
cas number: 28347-88-8
cas number: 28347-91-3
inchikey: RYHBNJHYFVUHQT-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
notation: 14DOxan
formula: C4H8O2
pubchem: 31275

t-butanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
is referenced by: LUC IV 000
is referenced by: LUC IV 009
is referenced by: LUC IV 012
smiles: CC(C)(C)O
iupac name: 2-Methylpropan-2-ol @en
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
notation: ttC4ol
broader: CHEMONTID_0001670
pubchem: 6386
alternative label: tertiair-butanol
inchikey: DKGAVHZHDRPRBM-UHFFFAOYSA-N
cas number: 75-65-0
formula: C4H10O

platina
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: [Pt]
cas number: 21547-63-7
cas number: 7440-06-4
pubchem: 23939
formula: Pt
inchikey: BASFCYQUMIYNBI-UHFFFAOYSA-N
broader: CHEMONTID_0000426
inchi: InChI=1S/Pt
notation: Pt
comment: VLAREM II bijlage 4.4.2
alternative label: platina (Pt)
iupac name: PLATINUM @en
definition: Platina en zijn verbindingen, uitgedrukt als Pt
in scheme: Conceptschema Chemische Stoffen

waterstofsulfide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 12767-24-7
cas number: 57035-13-9
cas number: 7704-34-9
cas number: 63705-05-5
cas number: 13465-07-1
cas number: 7783-06-4
cas number: 56449-52-6
cas number: 12673-82-4
cas number: 81032-32-8
cas number: 8050-82-6
cas number: 56645-30-8
cas number: 11144-15-3
cas number: 56591-09-4
cas number: 12684-31-0
broader: CHEMONTID_0000555
pubchem: 402
iupac name: hydrogen sulfide @en
notation: S8
notation: H2S
alternative label: octylzwavel
alternative label: waterstofsulfide (H2S)
comment: VLAR III (D3) 'zwavelwaterstof'
comment: VLAREM II bijlage 4.4.2 'zwavelwaterstof'
comment: VLAR III (D3, diverse art) 'H2S' en 'H2S-gehalte'
comment: VLAR II Art. 5.28.3.5.1 'H2S'
comment: VLAR II Art. 5.7.14.1
smiles: S
formula: H2S
inchi: InChI=1S/H2S/h1H2
in scheme: Conceptschema Chemische Stoffen
inchikey: RWSOTUBLDIXVET-UHFFFAOYSA-N

ethylacrylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 153313-65-6
cas number: 9003-32-1
cas number: 140-88-5
cas number: 169238-64-6
cas number: 37199-30-7
cas number: 116404-62-7
cas number: 87605-70-7
formula: C5H8O2
iupac name: ethyl prop-2-enoate @en
comment: VLAR II bijl. 4.4.2
pubchem: 8821
notation: C2yaclt
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 012
is referenced by: LUC IV 004
is referenced by: LUC IV 000
inchi: InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3
broader: CHEMONTID_0004452
smiles: CCOC(=O)C=C
inchikey: JIGUQPWFLRLWPJ-UHFFFAOYSA-N

cis-1,2-dichlooretheen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
alternative label: 1,2-dichlooretheen,cis
notation: c12DClC2e
inchi: InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-
pubchem: 643833
formula: C2H2Cl2
inchikey: KFUSEUYYWQURPO-UPHRSURJSA-N
cas number: 156-59-2
is referenced by: LUC IV 011
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
smiles: C(=CCl)Cl
iupac name: (Z)-1,2-Dichloroethene @en

2,2’-iminodiethanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2-(2-Hydroxyethylamino)ethanol @en
inchikey: ZBCBWPMODOFKDW-UHFFFAOYSA-N
cas number: 8033-73-6
cas number: 61791-46-6
cas number: 61791-44-4
cas number: 111-42-2
notation: DC2olAe
pubchem: 8113
alternative label: diethanolamine
in scheme: Conceptschema Chemische Stoffen
comment: VLAREM II bijlage 4.4.2
broader: CHEMONTID_0001897
inchi: InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
formula: C4H11NO2
smiles: C(CO)NCCO

ethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 7500
inchikey: YNQLUTRBYVCPMQ-UHFFFAOYSA-N
cas number: 100-41-4
cas number: 68908-88-3
cas number: 70955-17-8
cas number: 28213-80-1
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 001
formula: C8H10
iupac name: Ethylbenzene @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
smiles: CCC1=CC=CC=C1
comment: VLAR II bijl. 4.4.2
notation: C2yBen
broader: CHEMONTID_0002279

dimethylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: N-Methylmethanamine @en
inchikey: ROSDSFDQCJNGOL-UHFFFAOYSA-N
comment: VLAREM II bijlage 4.4.2
notation: DC1yAe
broader: CHEMONTID_0002228
formula: C2H7N
inchi: InChI=1S/C2H7N/c1-3-2/h3H,1-2H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 674
smiles: CNC
cas number: 124-40-3

1,2,3,4,6,7,8-heptachloordibenzofuraan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 1,2,3,4,6,7,8-HEPTACHLORODIBENZOFURAN @en
cas number: 38998-75-3
cas number: 67562-39-4
cas number: 67652-39-5
alternative label: 1,2,3,4,6,7,8-heptachloordibenzofuran
alternative label: 1,2,3,4,6,7,8-heptachloordibenzofuraan (hpcdf)
notation: PCDF131
is referenced by: LUC VI 002
pubchem: 38199
inchi: InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II+ bijlagen
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
inchikey: WDMKCPIVJOGHBF-UHFFFAOYSA-N
formula: C12HCl7O
broader: CHEMONTID_0003029

chlooraceetaldehyde
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 2-CHLOROACETALDEHYDE @en
smiles: C(C=O)Cl
cas number: 107-20-0
notation: ClacAh
formula: C2H3ClO
in scheme: Conceptschema Chemische Stoffen
comment: VLAREM II bijlage 4.4.2
inchikey: QSKPIOLLBIHNAC-UHFFFAOYSA-N
broader: CHEMONTID_0001516
inchi: InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2
pubchem: 33

koolstofmonoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: [C-]#[O+]
is referenced by: LUC II 001
alternative label: koolstofmonoxide (CO)
alternative label: koolmonoxide
cas number: 18421-60-8
cas number: 192819-80-0
cas number: 167416-30-0
cas number: 162342-48-5
cas number: 630-08-0
cas number: 153929-54-5
cas number: 82063-46-5
cas number: 155399-52-3
iupac name: carbon monoxide @en
inchi: InChI=1S/CO/c1-2
notation: CO
broader: CHEMONTID_0000434
comment: VLAR III (D3, diverse art) 'CO'
comment: VLAR II (D2) 'koolmonoxide'
comment: VLAR bijl. 2.5.3. diverse plaatsen 'koolmonoxide'
comment: VLAR II bijl. 4.4.2 'koolstofmonoxide'
inchikey: UGFAIRIUMAVXCW-UHFFFAOYSA-N
pubchem: 281
formula: CO
in scheme: Conceptschema Chemische Stoffen

hexaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CCCCCC
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
iupac name: Hexane @en
cas number: 68476-44-8
cas number: 92112-69-1
cas number: 110-54-3
cas number: 8031-34-3
inchi: InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
is referenced by: LUC IV 000
is referenced by: LUC IV 011
is referenced by: LUC IV 006
broader: CHEMONTID_0002500
pubchem: 8058
formula: C6H14
notation: C6a
alternative label: n-hexaan
inchikey: VLKZOEOYAKHREP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

polytetramethyletherglycol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: WYURNTSHIVDZCO-UHFFFAOYSA-N
alternative label: tetrahydrofuraan
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 008
pubchem: 8028
notation: PTMEG
notation: T4Hfrn
inchi: InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
cas number: 77392-70-2
cas number: 24979-97-3
cas number: 109-99-9
in scheme: Conceptschema Chemische Stoffen
iupac name: Oxolane @en
comment: VLAR II bijl. 4.4.2
smiles: C1CCOC1
broader: CHEMONTID_0002648
formula: C4H8O

tin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR III (D3) 'tinverbindingen, met inbegrip van organotinverbindingen, uitgedrukt als Sn'
comment: VLAR II bijl. 4.4.2 'tin en zijn verbindingen, uitgedrukt in Sn'
comment: VLAR II D5 'tin en tinverbindingen, uitgedrukt als tin (Sn)'
comment: VLAR III (D3, diverse art) 'Sn'
notation: Sn
iupac name: TIN @en
broader: CHEMONTID_0000427
definition: tin en tinverbindingen, uitgedrukt als tin (Sn)
pubchem: 5352426
inchi: InChI=1S/Sn
is referenced by: LUC III 010
is referenced by: LUC I 002
smiles: [Sn]
inchikey: ATJFFYVFTNAWJD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
alternative label: Tin (Sn)
formula: Sn
cas number: 7440-31-5

Kobalt
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
is referenced by: LUC III 010
is referenced by: LUC I 002
cas number: 16610-75-6
cas number: 7440-48-4
broader: CHEMONTID_0000426
comment: VLAR II D5 'kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'
comment: VLAR III (D3) 'Kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'
comment: VLAR III (D3, diverse art) 'Co'
comment: VLAR II bijl. 4.4.2 'kobalt en zijn verbindingen, uitgedrukt in Co'
definition: kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)
notation: Co
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Co
pubchem: 104730
iupac name: Cobalt @en
smiles: [Co]
inchikey: GUTLYIVDDKVIGB-UHFFFAOYSA-N
alternative label: kobalt
alternative label: kobalt (Co)
formula: Co

octaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CCCCCCCC
notation: C8a
cas number: 111-65-9
cas number: 50985-84-7
cas number: 31372-91-5
inchikey: TVMXDCGIABBOFY-UHFFFAOYSA-N
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
broader: CHEMONTID_0002500
alternative label: n-octaan
pubchem: 356
formula: C8H18
is referenced by: WAC IV A 016
is referenced by: LUC IV 011
is referenced by: LUC IV 006
is referenced by: LUC IV 000
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
iupac name: octane @en

1,2-dichloorbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: C1=CC=C(C(=C1)Cl)Cl
cas number: 95-50-1
cas number: 25321-22-6
cas number: 24634-92-2
broader: CHEMONTID_0002564
iupac name: 1,2-Dichlorobenzene @en
inchi: InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
in scheme: Conceptschema Chemische Stoffen
notation: 12DClBen
pubchem: 7239
inchikey: RFFLAFLAYFXFSW-UHFFFAOYSA-N
is referenced by: LUC IV 011
comment: VLAREM II bijlage 4.4.2
formula: C6H4Cl2

2-ethoxyethanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C4H10O2
is referenced by: LUC IV 003
is referenced by: LUC IV 000
is referenced by: LUC IV 012
notation: 2C2oxC2ol
iupac name: 2-Ethoxyethanol @en
inchikey: ZNQVEEAIQZEUHB-UHFFFAOYSA-N
broader: CHEMONTID_0001167
cas number: 96231-36-6
cas number: 110-80-5
inchi: InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
smiles: CCOCCO
comment: VLAR II bijl. 4.4.2
pubchem: 8076
in scheme: Conceptschema Chemische Stoffen

stikstofoxiden (nox), uitgedrukt als no2
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als stikstofdioxide'
comment: VLAR II bijl. 2.5.3. 'stikstofoxiden'
comment: 'NOX als som van stikstofmonoxide (NO) en stikstofdioxide (NO2)'
comment: VLAR II (D5) 'stikstofoxiden, uitgedrukt in NO2' 'stikstofoxiden (NOx), uitgedrukt als NO2' 'NOx, uitgedrukt als NO2' 'NOx''
comment: VLAR II (D4) 'stikstofoxiden (uitgedrukt in NO2)'
comment: VLAR III (D3) 'stikstofmonoxide (NO) en stikstofdioxide (NO2), uitgedrukt in NO2'
comment: VLAR II (D2) 'stikstofoxiden (NOx)'
comment: VLAR III (D3, diverse art) 'NOx'
comment: VLAR III (D3, diverse art) 'NOx, uitgedrukt als NO2'
inchikey: GSWAOPJLTADLTN-UHFFFAOYSA-N
pubchem: 160954
smiles: [NH3+][O-]
cas number: 11104-93-1
cas number: 11129-69-4
broader: CHEMONTID_0000554
is referenced by: LUC II 001
iupac name: oxidoazanium @en
inchi: InChI=1S/H3NO/c1-2/h1H3
definition: stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als NO2(def VLAR II, D1: stikstofoxiden: de som van stikstofmonoxide en stikstofdioxide, uitgedrukt als stikstofdioxide (NO2))
alternative label: stikstofoxiden (NOx), uitgedrukt als NO2
in scheme: Conceptschema Chemische Stoffen
formula: H3NO

cadmium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II (D5) 'cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)'
comment: VLAR II (D2) 'cadmium'
comment: VLAR Bijl. 2.5.2 en bijl. 2.5.8.1. 'cadmium'
comment: VLAR II bijl. 4.4.2 'cadmium en zijn verbindingen, uitgedrukt in Cd'
comment: VLAR III (D3) 'cadmium en zijn verbindingen, uitgedrukt in Cd'
comment: VLAR III (D3, diverse art) 'Cd'
comment: VLAR III (D3) 'cadmium en de verbindingen daarvan, uitgedrukt als cadmium (Cd)
definition: cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)
is referenced by: LUC I 002
is referenced by: LUC III 010
iupac name: cadmium(+2) cation @en
cas number: 22537-48-0
cas number: 7440-43-9
inchikey: WLZRMCYVCSSEQC-UHFFFAOYSA-N
smiles: [Cd+2]
inchi: InChI=1S/Cd/q+2
in scheme: Conceptschema Chemische Stoffen
pubchem: 31193
formula: Cd+2
broader: CHEMONTID_0000426
notation: Cd
alternative label: Cadmium (Cd)

trichloorfluormethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 75-69-4
cas number: 62185-70-0
cas number: 91315-61-6
cas number: 83589-40-6
cas number: 79620-41-0
iupac name: trichloro-fluoromethane @en
formula: CCl3F
inchikey: CYRMSUTZVYGINF-UHFFFAOYSA-N
notation: CFK11
in scheme: Conceptschema Chemische Stoffen
comment: VLAREM II bijlage 4.4.2
broader: CHEMONTID_0004521
pubchem: 6389
inchi: InChI=1S/CCl3F/c2-1(3,4)5
smiles: C(F)(Cl)(Cl)Cl

seleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR III (D3, diverse art) 'Se'
comment: VLAR II bijl. 4.4.2 'seleen en zijn verbindingen, uitgedrukt in Se'
comment: VLAR III (D3) 'seleenverbindingen, uitgedrukt als Se'
formula: Se
cas number: 95788-45-7
cas number: 12641-96-2
cas number: 12733-65-2
cas number: 11133-88-3
cas number: 51882-60-1
cas number: 50954-17-1
cas number: 12640-29-8
cas number: 7782-49-2
cas number: 11125-23-8
cas number: 37276-15-6
cas number: 37368-02-8
cas number: 12640-30-1
cas number: 37256-19-2
cas number: 37258-85-8
cas number: 7783-07-5
is referenced by: LUC I 002
is referenced by: LUC III 010
is referenced by: WAC III B 010
is referenced by: CMA 2 I B
is referenced by: CMA 2 I B.6
is referenced by: CMA 2 I B.1
is referenced by: WAC III B 012
in scheme: Conceptschema Chemische Stoffen
definition: seleen en seleenverbindingen, uitgedrukt als lood (Pb)
alternative label: Seleen (Se)
pubchem: 6326970
smiles: [Se]
notation: Se
iupac name: Selenium @en
inchikey: BUGBHKTXTAQXES-UHFFFAOYSA-N
broader: CHEMONTID_0000434
inchi: InChI=1S/Se

2-chloorpropaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 011
is referenced by: LUC IV 002
is referenced by: LUC IV 000
inchikey: ULYZAYCEDJDHCC-UHFFFAOYSA-N
comment: VLAR II bijl. 4.4.2
iupac name: 2-CHLOROPROPANE @en
smiles: CC(C)Cl
pubchem: 6361
broader: CHEMONTID_0001516
cas number: 75-29-6
notation: 2ClC3a
formula: C3H7Cl
inchi: InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3

methylacetaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: C1yactt
iupac name: METHYL ACETATE @en
formula: C3H6O2
pubchem: 6584
broader: CHEMONTID_0003416
is referenced by: LUC IV 004
is referenced by: LUC IV 000
comment: VLAR II bijl. 4.4.2
cas number: 79-20-9
inchikey: KXKVLQRXCPHEJC-UHFFFAOYSA-N
smiles: CC(=O)OC
inchi: InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
in scheme: Conceptschema Chemische Stoffen

2,3,7,8-tetrachloordibenzo-p-dioxine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
alternative label: 2,3,7,8-tetrachloordibenzodioxine
alternative label: 2,3,7,8-tetrachloordibenzodioxine (tcdd)
comment: VLAR II+ bijlagen
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
is referenced by: LUC VI 002
inchi: InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
broader: CHEMONTID_0000420
pubchem: 15625
formula: C12H4Cl4O2
cas number: 56795-67-6
cas number: 1746-01-6
in scheme: Conceptschema Chemische Stoffen
notation: PCDD48
iupac name: 2,3,7,8-tetrachlorooxanthrene @en
inchikey: HGUFODBRKLSHSI-UHFFFAOYSA-N

1,2-dichloorethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 002
formula: C2H4Cl2
inchi: InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
comment: VLAR II bijl. 4.4.2
comment: VLAR III (D3)
comment: VLAR II Art. 5.7.1.4/Art. 5.7.7.1
cas number: 107-06-2
cas number: 52399-93-6
cas number: 7572-29-4
in scheme: Conceptschema Chemische Stoffen
inchikey: WSLDOOZREJYCGB-UHFFFAOYSA-N
iupac name: ['1,2-dichloroethane', '1,2-dichloroethyne'] @en
alternative label: 1,2-dichloorethaan (edc)
pubchem: 11
broader: CHEMONTID_0001516
smiles: C(CCl)Cl
notation: 12DClC2a

dibenzo(a,h)anthraceen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000025
cas number: 56-56-4
cas number: 53-70-3
formula: C22H14
iupac name: naphtho[1,2-b]phenanthrene @en
in scheme: Conceptschema Chemische Stoffen
inchikey: LHRCREOYAASXPZ-UHFFFAOYSA-N
alternative label: dibenzo(a,h)an-traceen
alternative label: dibenzo(a,h)antraceen
inchi: InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H
notation: DBahAnt
comment: VLAR II (D2)
comment: VLAR II bijl. 4.4.2
pubchem: 5889
is referenced by: LUC VI 001

benzo(a)anthraceen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 56-55-3
is referenced by: LUC VI 001
inchi: InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H
pubchem: 5954
formula: C18H12
smiles: C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32
iupac name: Benzo[a]anthracene @en
alternative label: benz(a)anthraceen
alternative label: benzo(a)antra-ceen
alternative label: benzo(a)antraceen
broader: CHEMONTID_0000025
notation: BaA
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II (D2) 'benzo(a)antraceen'
inchikey: DXBHBZVCASKNBY-UHFFFAOYSA-N

benzo(a)pyreen (b)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
comment: VLAR II (D2) 'benzo(a)pyreen'
comment: VLAR II bijl. 4.4.2
comment: VLAR II bijl. 2.5.8.1.'B(a)P'
comment: VLAR III (D3, diverse art)
in scheme: Conceptschema Chemische Stoffen
cas number: 42299-33-2
cas number: 50-32-8
cas number: 6699-27-0
cas number: 819804-28-9
cas number: 34505-58-3
pubchem: 2336
notation: BaP
is referenced by: LUC VI 001
alternative label: benzo(a)pyreen
iupac name: Benzo[a]pyrene @en
inchikey: FMMWHPNWAFZXNH-UHFFFAOYSA-N
formula: C20H12
broader: CHEMONTID_0000316

mierenzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
alternative label: methaanzuur
inchi: InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
broader: CHEMONTID_0001205
cas number: 82069-14-5
cas number: 64-18-6
cas number: 7056-83-9
cas number: 8006-93-7
cas number: 15907-03-6
pubchem: 284
iupac name: formic acid @en
smiles: C(=O)O
formula: CH2O2
notation: C1azr
inchikey: BDAGIHXWWSANSR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

chloorcyaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: CClN
comment: VLAREM II bijlage 4.4.2
broader: CHEMONTID_0004084
inchi: InChI=1S/CClN/c2-1-3
smiles: C(#N)Cl
pubchem: 10477
inchikey: QPJDMGCKMHUXFD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: carbononitridic chloride @en
cas number: 506-77-4

dimethylether
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 157621-61-9
cas number: 115-10-6
comment: VLAREM II bijlage 4.4.2
smiles: COC
pubchem: 8254
notation: DC1yEtr
formula: C2H6O
broader: CHEMONTID_0001167
iupac name: Methoxymethane @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H6O/c1-3-2/h1-2H3
inchikey: LCGLNKUTAGEVQW-UHFFFAOYSA-N

2-methylbutaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 68923-44-4
cas number: 78-78-4
cas number: 70024-92-9
cas number: 68513-65-5
cas number: 92046-46-3
smiles: CCC(C)C
inchi: InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
formula: C5H12
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Methylbutane @en
inchikey: QWTDNUCVQCZILF-UHFFFAOYSA-N
broader: CHEMONTID_0004620
pubchem: 6556
notation: 2C1yC4a

iso-boterzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001205
cas number: 79-31-2
smiles: CC(C)C(=O)O
formula: C4H8O2
pubchem: 6590
inchi: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
iupac name: 2-Methylpropanoic acid @en
in scheme: Conceptschema Chemische Stoffen
inchikey: KQNPFQTWMSNSAP-UHFFFAOYSA-N
notation: ibtzr

erucazuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: (Z)-Docos-13-enoic acid @en
formula: C22H42O2
cas number: 112-86-7
smiles: CCCCCCCCC=CCCCCCCCCCCCC(=O)O
notation: erczr
inchikey: DPUOLQHDNGRHBS-KTKRTIGZSA-N
pubchem: 5281116
broader: CHEMONTID_0002950

tri-m-cresylfosfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 11232
in scheme: Conceptschema Chemische Stoffen
iupac name: tris(3-methylphenyl) phosphate @en
inchikey: RMLPZKRPSQVRAB-UHFFFAOYSA-N
cas number: 563-04-2
broader: CHEMONTID_0004619
inchi: InChI=1S/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3
formula: C21H21O4P
notation: TmcsPO4

alfa-hexachloorcyclohexaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m1/s1
notation: aHCH
broader: CHEMONTID_0004485
in scheme: Conceptschema Chemische Stoffen
alternative label: α-hexachlorocyclohexaan
alternative label: α-lindaan
cas number: 319-84-6
inchikey: JLYXXMFPNIAWKQ-SHFUYGGZSA-N
formula: C6H6Cl6
iupac name: (1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane @en

methoprotryn
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)
broader: CHEMONTID_0004735
notation: metptn
smiles: CC(C)NC1=NC(=NC(=N1)NCCCOC)SC
pubchem: 13290
formula: C11H21N5OS
in scheme: Conceptschema Chemische Stoffen
inchikey: DDUIUBPJPOKOMV-UHFFFAOYSA-N
iupac name: N'-(3-methoxypropyl)-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
cas number: 841-06-5

chroom (zeswaardig)
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: CrVI
iupac name: chromium(+6) cation @en
broader: CHEMONTID_0000426
inchi: InChI=1S/Cr/q+6
alternative label: chroom, zeswaardig
formula: Cr+6
inchikey: JOPOVCBBYLSVDA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 18540-29-9
pubchem: 29131
smiles: [Cr+6]

4-methylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 26915-12-8
cas number: 106-49-0
cas number: 12221-03-3
cas number: 25640-74-8
formula: C7H9N
smiles: CC1=CC=C(C=C1)N
in scheme: Conceptschema Chemische Stoffen
inchikey: RZXMPPFPUUCRFN-UHFFFAOYSA-N
iupac name: 4-Methylaniline @en
broader: CHEMONTID_0003964
pubchem: 7813
notation: 4C1yAn
inchi: InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3

clozapine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 2818
cas number: 5786-21-0
broader: CHEMONTID_0000072
inchikey: ZUXABONWMNSFBN-UHFFFAOYSA-N
notation: clozpne
inchi: InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
iupac name: 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]benzodiazepine @en
formula: C18H19ClN4

tolbutamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000031
formula: C12H18N2O3S
inchikey: JLRGJRBPOGGCBT-UHFFFAOYSA-N
pubchem: 5505
cas number: 64-77-7
cas number: 100735-34-0
inchi: InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
notation: tolbAd
iupac name: 1-butyl-3-(4-methylphenyl)sulfonylurea @en
smiles: CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C
in scheme: Conceptschema Chemische Stoffen

dinobuton
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 62655-72-5
cas number: 61840-20-8
cas number: 973-21-7
broader: CHEMONTID_0000036
formula: C14H18N2O7
iupac name: (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate @en
in scheme: Conceptschema Chemische Stoffen
inchikey: HDWLUGYOLUHEMN-UHFFFAOYSA-N
notation: Dnbtn
inchi: InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3
pubchem: 13783
smiles: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(C)C

hydrochloorthiazide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: JZUFKLXOESDKRF-UHFFFAOYSA-N
iupac name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide @en
formula: C7H8ClN3O4S2
broader: CHEMONTID_0004292
cas number: 58-93-5
cas number: 8049-49-8
cas number: 125727-50-6
notation: HCltazde
in scheme: Conceptschema Chemische Stoffen
pubchem: 3639
inchi: InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)

butyltetradecanoaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3
broader: CHEMONTID_0000324
cas number: 110-36-1
inchikey: DHAZIUXMHRHVMP-UHFFFAOYSA-N
iupac name: Butyl tetradecanoate @en
formula: C18H36O2
in scheme: Conceptschema Chemische Stoffen
pubchem: 8047
notation: C4yC14aoat
smiles: CCCCCCCCCCCCCC(=O)OCCCC

diboortrioxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/B2O3/c3-1-5-2-4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000534
iupac name: oxo-oxoboranyloxyborane @en
notation: B2O3
pubchem: 518682
formula: B2O3
smiles: B(=O)OB=O
inchikey: JKWMSGQKBLHBQQ-UHFFFAOYSA-N
cas number: 1303-86-2

magnesiumoxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: MgO
cas number: 187036-80-2
cas number: 82375-77-7
cas number: 185461-91-0
cas number: 1309-48-4
cas number: 13589-16-7
cas number: 52933-73-0
smiles: O=[Mg]
notation: MgO
inchikey: CPLXHLVBOLITMK-UHFFFAOYSA-N
inchi: InChI=1S/Mg.O
broader: CHEMONTID_0000546
in scheme: Conceptschema Chemische Stoffen
pubchem: 14792
iupac name: oxomagnesium @en

triacetonamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 94452
inchikey: ZXNWYMNKYXUZGM-UHFFFAOYSA-N
notation: TactnAe
iupac name: 2,2,6,6-Tetramethylpiperidin-4-one hydrochloride @en
broader: CHEMONTID_0001581
cas number: 33973-59-0
cas number: 826-36-8
smiles: CC1(CC(=O)CC(N1)(C)C)C.Cl
inchi: InChI=1S/C9H17NO.ClH/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H
in scheme: Conceptschema Chemische Stoffen
formula: C9H18ClNO

dimethylditetradecylammonium bromide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 3017829
iupac name: dimethyl-di(tetradecyl)azanium bromide @en
inchi: InChI=1S/C30H64N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1
inchikey: IRMGVPILCPGYNQ-UHFFFAOYSA-M
cas number: 68105-02-2
formula: C30H64BrN
in scheme: Conceptschema Chemische Stoffen
notation: DC1yDC14yNH4
smiles: CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Br-]
broader: CHEMONTID_0004225

lufenuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide @en
inchikey: PWPJGUXAGUPAHP-UHFFFAOYSA-N
notation: lufnrn
in scheme: Conceptschema Chemische Stoffen
formula: C17H8Cl2F8N2O3
broader: CHEMONTID_0001935
pubchem: 71777
cas number: 103055-07-8

microcystine-lr
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C49H74N10O12
pubchem: 445434
notation: MC-LR
alternative label: microcystine-LR
in scheme: Conceptschema Chemische Stoffen
inchikey: ZYZCGGRZINLQBL-GWRQVWKTSA-N
cas number: 101043-37-2
broader: CHEMONTID_0002010
inchi: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
iupac name: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid @en

ancymidol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 25572
inchikey: HUTDUHSNJYTCAR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3
cas number: 51025-96-8
cas number: 33712-16-2
cas number: 50642-61-0
cas number: 12771-68-5
broader: CHEMONTID_0000138
smiles: COC1=CC=C(C=C1)C(C2CC2)(C3=CN=CN=C3)O
formula: C15H16N2O2
notation: ancmdl
iupac name: cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol @en

ketoconazol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C26H28Cl2N4O4
pubchem: 47576
cas number: 65277-42-1
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone @en
broader: CHEMONTID_0001984
inchikey: XMAYWYJOQHXEEK-ZEQKJWHPSA-N

chloormequatchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: ClmqCl
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004225
pubchem: 13836
cas number: 8073-20-9
cas number: 999-81-5
cas number: 39394-21-3
inchi: InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
formula: C5H13Cl2N
inchikey: UHZZMRAGKVHANO-UHFFFAOYSA-M
smiles: C[N+](C)(C)CCCl.[Cl-]
iupac name: 2-chloroethyl-trimethylazanium chloride @en

hexabroom-1,1'-bifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3-tribromo-4-(2,3,4-tribromophenyl)benzene @en
cas number: 82865-89-2
cas number: 36355-01-8
inchikey: PTJQVJQAZSLKJO-UHFFFAOYSA-N
inchi: InChI=1S/C12H4Br6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H
formula: C12H4Br6
broader: CHEMONTID_0003954
pubchem: 154482
notation: HxBr11bFy

pyridafention
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one @en
formula: C14H17N2O4PS
inchikey: CXJSOEPQXUCJSA-UHFFFAOYSA-N
notation: pyrdfton
in scheme: Conceptschema Chemische Stoffen
cas number: 119-12-0
inchi: InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
pubchem: 8381
broader: CHEMONTID_0004623

C.I. Basic Red 1
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: ethyl 2-(3-ethylamino-6-ethylimino-2,7-dimethylxanthen-9-yl)benzoate hydrochloride @en
alternative label: c.i. basic red 1
smiles: CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[Cl-]
notation: cibrd1
pubchem: 13806
inchi: InChI=1S/C28H30N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29H,6-8H2,1-5H3;1H
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000200
formula: C28H31ClN2O3
inchikey: VYXSBFYARXAAKO-UHFFFAOYSA-N
cas number: 989-38-8

pyraflufen-ethyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: pyrffnC2y
broader: CHEMONTID_0002019
cas number: 129630-19-9
formula: C15H13Cl2F3N2O4
in scheme: Conceptschema Chemische Stoffen
inchikey: APTZNLHMIGJTEW-UHFFFAOYSA-N
pubchem: 182951
iupac name: ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate @en

dimethylsulfoxide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8070-53-9
cas number: 67-68-5
cas number: 164071-41-4
formula: C2H6OS
iupac name: Methylsulfinylmethane @en
inchi: InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
notation: DC1ySO
inchikey: IAZDPXIOMUYVGZ-UHFFFAOYSA-N
smiles: CS(=O)C
in scheme: Conceptschema Chemische Stoffen
pubchem: 679
broader: CHEMONTID_0000491

dimethylbutaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: HNRMPXKDFBEGFZ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 6403
smiles: CCC(C)(C)C
broader: CHEMONTID_0004620
iupac name: 2,2-Dimethylbutane @en
cas number: 75-83-2
formula: C6H14
inchi: InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3
notation: DC1yC4a

butylhexadecanoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: Butyl hexadecanoate @en
inchikey: GLYJVQDYLFAUFC-UHFFFAOYSA-N
formula: C20H40O2
broader: CHEMONTID_0000324
smiles: CCCCCCCCCCCCCCCC(=O)OCCCC
cas number: 111-06-8
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3
pubchem: 8090
notation: C4yC16aoat

lood 214
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: WABPQHHGFIMREM-RKEGKUSMSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
smiles: [Pb]
inchi: InChI=1S/Pb/i1+7
formula: Pb
notation: Pb214
cas number: 15067-28-4
pubchem: 6328551
iupac name: lead-214 @en

2-methyl-5-(methylthio)furan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-methyl-5-methylsulfanylfuran @en
cas number: 13678-59-6
pubchem: 61657
smiles: CC1=CC=C(O1)SC
notation: 2C1y5C1ytofr
broader: CHEMONTID_0004631
inchikey: RESBOJMQOGJOMW-UHFFFAOYSA-N
formula: C6H8OS

cypermethrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 186554-45-0
cas number: 69865-47-0
cas number: 88161-75-5
cas number: 71697-59-1
cas number: 137497-61-1
cas number: 159940-28-0
cas number: 52315-07-8
cas number: 146909-55-9
cas number: 142443-95-6
cas number: 139203-31-9
cas number: 86752-99-0
cas number: 97955-44-7
cas number: 86753-92-6
inchikey: KAATUXNTWXVJKI-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
pubchem: 2912
notation: cypmtn
broader: CHEMONTID_0001461
formula: C22H19Cl2NO3
inchi: InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3
smiles: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C

tripropylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 112488-51-4
cas number: 102-69-2
broader: CHEMONTID_0002239
in scheme: Conceptschema Chemische Stoffen
inchikey: YFTHZRPMJXBUME-UHFFFAOYSA-N
notation: TC3yAe
inchi: InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3
smiles: CCCN(CCC)CCC
formula: C9H21N
pubchem: 7616
iupac name: N,N-dipropylpropan-1-amine @en

4-nitrotolueen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 4NO2Tol
in scheme: Conceptschema Chemische Stoffen
cas number: 99-99-0
smiles: CC1=CC=C(C=C1)[N+](=O)[O-]
formula: C7H7NO2
inchi: InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
iupac name: ['N,N-dihydroxy-4-methylaniline', '1-Methyl-4-nitrobenzene'] @en
pubchem: 7473
broader: CHEMONTID_0000036
inchikey: ZPTVNYMJQHSSEA-UHFFFAOYSA-N

sulfiet
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14265-45-3
pubchem: 1099
formula: O3S-2
inchi: InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
smiles: [O-]S(=O)[O-]
notation: SO3-2
broader: CHEMONTID_0001078
iupac name: sulfite @en
in scheme: Conceptschema Chemische Stoffen
inchikey: LSNNMFCWUKXFEE-UHFFFAOYSA-L

pyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 152758-95-7
cas number: 45410-39-7
cas number: 6999-00-4
cas number: 82005-06-9
cas number: 163392-20-9
cas number: 85404-19-9
cas number: 110-86-1
cas number: 85404-20-2
cas number: 62301-32-0
inchi: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
iupac name: Pyridine @en
smiles: C1=CC=NC=C1
formula: C5H5N
pubchem: 1049
notation: pyrdne
inchikey: JUJWROOIHBZHMG-UHFFFAOYSA-N
broader: CHEMONTID_0000089
in scheme: Conceptschema Chemische Stoffen

2-methyl-2h-isothiazool-3-on
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 2C1y2Hitaz3o
inchikey: SJXPQSRCFCPWQQ-UHFFFAOYSA-N
smiles: CN1C(=O)C=CS1.Cl
iupac name: 2-methyl-1,2-thiazol-3-one hydrochloride @en
cas number: 2682-20-4
cas number: 26172-54-3
cas number: 116680-95-6
inchi: InChI=1S/C4H5NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H,1H3;1H
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000095
pubchem: 117746
alternative label: 2-methyl-2H-isothiazool-3-on
formula: C4H6ClNOS

3,3',4,4',5,5'-hexabroombifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 104942
iupac name: 1,2,3-tribromo-5-(3,4,5-tribromophenyl)benzene @en
notation: PBB169
formula: C12H4Br6
in scheme: Conceptschema Chemische Stoffen
cas number: 60044-26-0
inchikey: UXOOFXUEODCAIP-UHFFFAOYSA-N
broader: CHEMONTID_0003954
inchi: InChI=1S/C12H4Br6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H

ethidimuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C7H12N4O3S2/c1-4-16(13,14)7-10-9-6(15-7)11(3)5(12)8-2/h4H2,1-3H3,(H,8,12)
pubchem: 91596
inchikey: KCOCSOWTADCKOL-UHFFFAOYSA-N
iupac name: 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000093
smiles: CCS(=O)(=O)C1=NN=C(S1)N(C)C(=O)NC
cas number: 30043-49-3
notation: etdmrn
formula: C7H12N4O3S2

1-pentaanthiol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: pentane-1-thiol @en
broader: CHEMONTID_0001212
formula: C5H12S
notation: 1C5atol
inchikey: ZRKMQKLGEQPLNS-UHFFFAOYSA-N
pubchem: 8067
inchi: InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
cas number: 110-66-7
smiles: CCCCCS

broomdichloorazijnzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003000
notation: BrDClHAc
cas number: 71133-14-7
pubchem: 114809
formula: C2HBrCl2O2
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-bromo-2,2-dichloroacetic acid @en
smiles: C(=O)(C(Cl)(Cl)Br)O
inchi: InChI=1S/C2HBrCl2O2/c3-2(4,5)1(6)7/h(H,6,7)
inchikey: XSWVFEQKZFUULO-UHFFFAOYSA-N

benzethonium chloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 5929-09-9
cas number: 39362-38-4
cas number: 121-54-0
inchi: InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
pubchem: 8478
formula: C27H42ClNO2
iupac name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride @en
notation: BentnmCl
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002811
inchikey: UREZNYTWGJKWBI-UHFFFAOYSA-M
smiles: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

foraat-sulfoxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2588-03-6
inchi: InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3
pubchem: 17424
notation: forsfOxd
smiles: CCOP(=S)(OCC)SCS(=O)CC
inchikey: XRQHTUDGPWMPKX-UHFFFAOYSA-N
iupac name: diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidenephosphorane @en
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
formula: C7H17O3PS3

tridecanal
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000298
iupac name: TRIDECANAL @en
smiles: CCCCCCCCCCCCC=O
cas number: 10486-19-8
formula: C13H26O
pubchem: 25311
notation: C13al
inchi: InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
in scheme: Conceptschema Chemische Stoffen
inchikey: BGEHHAVMRVXCGR-UHFFFAOYSA-N

ceftazidime
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: ORFOPKXBNMVMKC-DWVKKRMSSA-N
cas number: 72558-82-8
notation: ceftzdme
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000173
pubchem: 5481173
iupac name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en
formula: C22H22N6O7S2
inchi: InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1

2,4-di-tertiair-butylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 7311
iupac name: 2,4-ditert-butylphenol @en
inchi: InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
formula: C14H22O
cas number: 96-76-4
cas number: 50356-26-8
inchikey: ICKWICRCANNIBI-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 24DttC4yFol
smiles: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C

methylisocyanaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: methylimino-oxomethane @en
formula: C2H3NO
cas number: 30108-95-3
cas number: 624-83-9
notation: C1yicnt
in scheme: Conceptschema Chemische Stoffen
inchikey: HAMGRBXTJNITHG-UHFFFAOYSA-N
inchi: InChI=1S/C2H3NO/c1-3-2-4/h1H3
broader: CHEMONTID_0000501
pubchem: 12228
smiles: CN=C=O

broompyrolaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
broader: CHEMONTID_0002279
inchikey: VPNYRYCIDCJBOM-UHFFFAOYSA-M
alternative label: pyrolaat
iupac name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide @en
notation: pyrlt
notation: Brprlt
formula: C19H28BrNO3
pubchem: 11693
cas number: 596-51-0
cas number: 53808-86-9
in scheme: Conceptschema Chemische Stoffen

2-chloor-5-nitroaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: KWIXNFOTNVKIGM-UHFFFAOYSA-N
notation: 2Cl5NO2An
smiles: C1=CC(=C(C=C1[N+](=O)[O-])N)Cl
iupac name: 2-Chloro-5-nitroaniline @en
formula: C6H5ClN2O2
pubchem: 22691
inchi: InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
cas number: 6283-25-6

difenylsulfon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C12H10O2S
inchi: InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
broader: CHEMONTID_0004233
notation: Dfysfn
smiles: C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
pubchem: 31386
iupac name: phenylsulfonylbenzene @en
cas number: 127-63-9
in scheme: Conceptschema Chemische Stoffen
inchikey: KZTYYGOKRVBIMI-UHFFFAOYSA-N

trichlooracetylchloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 76-02-8
pubchem: 6420
inchikey: PVFOMCVHYWHZJE-UHFFFAOYSA-N
broader: CHEMONTID_0001022
in scheme: Conceptschema Chemische Stoffen
notation: T4ClC2al
formula: C2Cl4O
iupac name: 2,2,2-trichloroacetyl chloride @en
smiles: C(=O)(C(Cl)(Cl)Cl)Cl
inchi: InChI=1S/C2Cl4O/c3-1(7)2(4,5)6

2,3,5,6-tetrachloorfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 2,3,5,6-TETRACHLOROPHENOL @en
inchi: InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
inchikey: KEWNKZNZRIAIAK-UHFFFAOYSA-N
broader: CHEMONTID_0002771
cas number: 935-95-5
smiles: C1=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl
pubchem: 13636
in scheme: Conceptschema Chemische Stoffen
notation: 2356T4ClFol
formula: C6H2Cl4O

quinalfos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: quinfs
inchikey: JYQUHIFYBATCCY-UHFFFAOYSA-N
pubchem: 26124
cas number: 54511-12-5
cas number: 13593-03-8
cas number: 37331-41-2
formula: C12H15N2O3PS
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
smiles: CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1
broader: CHEMONTID_0000486
iupac name: diethoxy-quinoxalin-2-yloxy-sulfanylidenephosphorane @en

aluminiumhydroxychloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 32056-15-8
cas number: 101707-17-9
cas number: 64441-77-6
cas number: 245064-40-8
cas number: 8012-66-6
cas number: 143230-54-0
cas number: 1327-41-9
cas number: 39380-80-8
cas number: 79586-02-0
cas number: 56803-01-1
cas number: 162535-15-1
cas number: 135864-70-9
cas number: 195436-38-5
cas number: 41630-01-7
cas number: 56831-66-4
cas number: 11097-68-0
cas number: 125690-94-0
cas number: 144388-28-3
cas number: 7446-70-0
cas number: 37226-46-3
cas number: 84861-98-3
cas number: 167140-05-8
cas number: 114442-10-3
inchi: InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3
broader: CHEMONTID_0000573
notation: AlHOxCl
formula: AlCl3
inchikey: VSCWAEJMTAWNJL-UHFFFAOYSA-K
iupac name: ['trichloroalumane', 'Aluminum trichloride'] @en
pubchem: 24012
smiles: [Al](Cl)(Cl)Cl
in scheme: Conceptschema Chemische Stoffen

kalium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID:0000425
formula: K
cas number: 7440-09-07
inchi: InChI=1S/K
iupac name: potassium @en
smiles: [K]
pubchem: 5462222
notation: K
in scheme: Conceptschema Chemische Stoffen
inchikey: ZLMJMSJWJFRBEC-UHFFFAOYSA-N

trimethylfosfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
notation: TC1yPO4
broader: CHEMONTID_0003460
smiles: COP(=O)(OC)OC
inchikey: WVLBCYQITXONBZ-UHFFFAOYSA-N
pubchem: 10541
in scheme: Conceptschema Chemische Stoffen
formula: C3H9O4P
cas number: 91316-44-8
cas number: 512-56-1
iupac name: ['hydroxy-trimethoxyphosphanium', 'Trimethyl phosphate'] @en

2-(2-butoxyethoxy)ethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: OAYXUHPQHDHDDZ-UHFFFAOYSA-N
cas number: 112-34-5
cas number: 210818-08-9
smiles: CCCCOCCOCCO
iupac name: 2-(2-Butoxyethoxy)ethanol @en
inchi: InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
pubchem: 8177
formula: C8H18O3
notation: 22C4oxC2oxC2

nonaanzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CCCCCCCCC(=O)O
inchikey: FBUKVWPVBMHYJY-UHFFFAOYSA-N
inchi: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
cas number: 58253-02-4
cas number: 68937-75-7
cas number: 112-05-0
notation: C9azr
iupac name: Nonanoic acid @en
formula: C9H18O2
pubchem: 8158
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003086

di-(2,3,3,3-tetrachloorpropyl)ether
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: C(C(OC(CC(Cl)(Cl)Cl)Cl)Cl)C(Cl)(Cl)Cl
broader: CHEMONTID_0001516
cas number: 127-90-2
inchi: InChI=1S/C6H6Cl8O/c7-3(1-5(9,10)11)15-4(8)2-6(12,13)14/h3-4H,1-2H2
notation: D2333T4ClC3y
inchikey: YEHHNHSVUHPNNT-UHFFFAOYSA-N
pubchem: 31393
iupac name: 1,1,1,3-tetrachloro-3-(1,3,3,3-tetrachloropropoxy)propane @en
in scheme: Conceptschema Chemische Stoffen
formula: C6H6Cl8O

metribuzin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CC(C)(C)C1=NN=C(N(C1=O)N)SC
broader: CHEMONTID_0004631
iupac name: 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one @en
in scheme: Conceptschema Chemische Stoffen
inchikey: FOXFZRUHNHCZPX-UHFFFAOYSA-N
inchi: InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3
cas number: 21087-64-9
notation: metbzn
formula: C8H14N4OS
pubchem: 30479

1,1-dichloorpropeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001168
cas number: 563-58-6
in scheme: Conceptschema Chemische Stoffen
smiles: CC=C(Cl)Cl
pubchem: 11245
formula: C3H4Cl2
notation: 11DClC3e
inchikey: ZAIDIVBQUMFXEC-UHFFFAOYSA-N
inchi: InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3
iupac name: 1,1-dichloroprop-1-ene @en

3-methylaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: 3C1yAn
cas number: 108-44-1
broader: CHEMONTID_0003964
inchikey: JJYPMNFTHPTTDI-UHFFFAOYSA-N
inchi: InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3
formula: C7H9N
iupac name: 3-Methylaniline @en
smiles: CC1=CC(=CC=C1)N
pubchem: 7934

trifluorjoodmethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/CF3I/c2-1(3,4)5
cas number: 263005-66-9
cas number: 2314-97-8
notation: TFIC1a
formula: CF3I
inchikey: VPAYJEUHKVESSD-UHFFFAOYSA-N
smiles: C(F)(F)(F)I
pubchem: 16843
broader: CHEMONTID_0004157
iupac name: trifluoro-iodomethane @en

curium 247
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15758-32-4
inchi: InChI=1S/Cm/i1+0
inchikey: NIWWFAAXEMMFMS-IGMARMGPSA-N
formula: Cm
notation: Cm247
iupac name: curium-247 @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 167403
smiles: [Cm]

2-methoxynaftaleen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 7119
smiles: COC1=CC2=CC=CC=C2C=C1
broader: CHEMONTID_0000023
cas number: 93-04-9
inchikey: LUZDYPLAQQGJEA-UHFFFAOYSA-N
formula: C11H10O
notation: 2C1oxNaf
iupac name: 2-Methoxynaphthalene @en
inchi: InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3

cloprostenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: sodium (Z)-7-[(1R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 40665-92-7
cas number: 55028-72-3
inchi: InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19?,20+,21-;/m1./s1
formula: C22H28ClNaO6
inchikey: IFEJLMHZNQJGQU-UDEWSXLWSA-M
notation: cloptnl
pubchem: 6436024

alloxydim
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 3034433
formula: C17H25NO5
notation: allxdm
inchikey: CBLVUXPPNHUKDE-QBFSEMIESA-N
inchi: InChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,14,18H,2,6,8-10H2,1,3-5H3/b13-11-
broader: CHEMONTID_0000133
cas number: 55634-91-8
iupac name: methyl (5Z)-2,2-dimethyl-4,6-dioxo-5-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1-carboxylate @en

rubidium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000425
inchikey: IGLNJRXAVVLDKE-UHFFFAOYSA-N
cas number: 7440-17-7
cas number: 15438-27-4
cas number: 22438-27-3
pubchem: 5357696
notation: Rb
in scheme: Conceptschema Chemische Stoffen
formula: Rb
inchi: InChI=1S/Rb
iupac name: RUBIDIUM @en
smiles: [Rb]

2-chloor-5-nitrotolueen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl5NO2Tol
inchikey: BGDCQZFFNFXYQC-UHFFFAOYSA-N
inchi: InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
iupac name: 1-Chloro-2-methyl-4-nitrobenzene @en
cas number: 13290-74-9
formula: C7H6ClNO2
pubchem: 83315
broader: CHEMONTID_0000036
smiles: CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

tribroometheen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C(=C(Br)Br)Br
formula: C2HBr3
in scheme: Conceptschema Chemische Stoffen
pubchem: 11712
inchikey: OZVJKTHTULCNHB-UHFFFAOYSA-N
broader: CHEMONTID_0002864
iupac name: 1,1,2-tribromoethene @en
notation: TBrC2e
cas number: 598-16-3
inchi: InChI=1S/C2HBr3/c3-1-2(4)5/h1H

1,4-diethoxybenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 14DC2oxBen
pubchem: 67150
iupac name: 1,4-Diethoxybenzene @en
broader: CHEMONTID_0002341
smiles: CCOC1=CC=C(C=C1)OCC
inchikey: VWGNFIQXBYRDCH-UHFFFAOYSA-N
inchi: InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3
cas number: 122-95-2
in scheme: Conceptschema Chemische Stoffen
formula: C10H14O2

beta-broom-beta-nitrostyreen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 6433494
inchi: InChI=1S/C8H6BrNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H/b8-6-
cas number: 7166-19-0
iupac name: [(E)-2-bromo-2-nitroethenyl]benzene @en
smiles: C1=CC=C(C=C1)C=C([N+](=O)[O-])Br
formula: C8H6BrNO2
notation: bBrbNO2srn
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002279
inchikey: SKDNDVDHYMEGNJ-VURMDHGXSA-N

vigabatrine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 4-aminohex-5-enoic acid @en
cas number: 74046-07-4
cas number: 60643-86-9
notation: vigbtne
broader: CHEMONTID_0001880
in scheme: Conceptschema Chemische Stoffen
smiles: C=CC(CCC(=O)O)N
inchikey: PJDFLNIOAUIZSL-UHFFFAOYSA-N
pubchem: 5665
formula: C6H11NO2
inchi: InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)

fipronil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F
in scheme: Conceptschema Chemische Stoffen
notation: fipnl
inchikey: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
formula: C12H4Cl2F6N4OS
broader: CHEMONTID_0002019
cas number: 120068-37-3
pubchem: 3352
iupac name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile @en

nuarimol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C17H12ClFN2O
inchikey: SAPGTCDSBGMXCD-UHFFFAOYSA-N
cas number: 75872-04-7
cas number: 109023-55-4
cas number: 63284-71-9
notation: nuarml
pubchem: 91683
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000369
inchi: InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H
iupac name: (2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol @en

eprosartan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 133040-01-4
broader: CHEMONTID_0002565
inchikey: OROAFUQRIXKEMV-LDADJPATSA-N
iupac name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid @en
inchi: InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
notation: epstn
pubchem: 5281037
in scheme: Conceptschema Chemische Stoffen
formula: C23H24N2O4S

1,8-cineole
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 10458-11-4
cas number: 8024-53-1
cas number: 470-82-6
cas number: 8024-52-0
in scheme: Conceptschema Chemische Stoffen
inchikey: WEEGYLXZBRQIMU-WAAGHKOSSA-N
broader: CHEMONTID_0002012
inchi: InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
formula: 0
iupac name: 4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane @en
smiles: 0
notation: 18cinole

n-ethylperfluor-n-octaansulfonamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: n-ethyl perfluoroctaansulfonamide
alternative label: n-ethylperfluor-n-octaansulfonamide (etpfosa)
alternative label: N-ethylperfluoroctaansulfonamide
alternative label: N-ethyl perfluoroctaansulfonamide
alternative label: n-ethylperfluoroctaan-1-sulfonamide (etpfosa)
inchikey: CCEKAJIANROZEO-UHFFFAOYSA-N
notation: EtFOSA
notation: EtPFOSA
broader: CHEMONTID_0003960
pubchem: 77797
cas number: 4151-50-2
inchi: InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3
iupac name: N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide @en
formula: C10H6F17NO2S
in scheme: Conceptschema Chemische Stoffen

pp'dichloordifenyltrichloorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 44DDT
in scheme: Conceptschema Chemische Stoffen
alternative label: p,p’-ddt
alternative label: p,p'-ddt
alternative label: 4,4'-dichloordifenyltrichloorethaan
iupac name: 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene @en
formula: C14H9Cl5
pubchem: 3036
cas number: 50-29-3
inchi: InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
inchikey: YVGGHNCTFXOJCH-UHFFFAOYSA-N
broader: CHEMONTID_0000369

allylalcohol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: prop-2-en-1-ol @en
smiles: C=CCO
broader: CHEMONTID_0000286
pubchem: 7858
cas number: 107-18-6
inchikey: XXROGKLTLUQVRX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
formula: C3H6O
notation: allachl

azacyclotridecan-2-on
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)
notation: azccC13on2
formula: C12H23NO
cas number: 947-04-6
cas number: 25038-74-8
cas number: 115296-76-9
cas number: 125081-69-8
cas number: 161865-23-2
cas number: 148308-40-1
cas number: 115296-77-0
cas number: 70099-82-0
iupac name: 1-azacyclotridecan-2-one @en
broader: CHEMONTID_0000064
smiles: C1CCCCCC(=O)NCCCCC1
inchikey: JHWNWJKBPDFINM-UHFFFAOYSA-N
pubchem: 13690
in scheme: Conceptschema Chemische Stoffen

2,3,5,6-tetrachlooraniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C6H3Cl4N
inchikey: YTDHEFNWWHSXSU-UHFFFAOYSA-N
cas number: 3481-20-7
broader: CHEMONTID_0000284
iupac name: 2,3,5,6-Tetrachloroaniline @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 18998
inchi: InChI=1S/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2
notation: 2356T4ClAn
smiles: C1=C(C(=C(C(=C1Cl)Cl)N)Cl)Cl

9-Chloorhexadecafluor-3-oxanonaansulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001179
inchikey: OWQCHLFKOGVODW-UHFFFAOYSA-M
pubchem: 25210512
iupac name: potassium;2-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexoxy)-1,1,2,2-tetrafluoroethanesulfonate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 73606-19-6
formula: C8ClF16KO4S
inchi: InChI=1S/C8HClF16O4S.K/c9-5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)29-7(22,23)8(24,25)30(26,27)28;/h(H,26,27,28);/q;+1/p-1
notation: 9Cl-PF3ONS

acetochloor
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000285
formula: C14H20ClNO2
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide @en
smiles: CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C
inchikey: VTNQPKFIQCLBDU-UHFFFAOYSA-N
cas number: 34256-82-1
cas number: 123113-74-6
pubchem: 1988
notation: actCl
inchi: InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3

oxytetracycline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione dihydrate @en
inchikey: QRTMTZAUGTXZOA-ZGYDFYMOSA-N
broader: CHEMONTID_0000181
cas number: 6153-64-6
in scheme: Conceptschema Chemische Stoffen
pubchem: 5282371
formula: C22H28N2O11
notation: OxT4ccne
inchi: InChI=1S/C22H24N2O9.2H2O/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;;/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3;2*1H2/b20-11-;;/t12-,13-,14+,17+,21-,22+;;/m1../s1

buminafos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C18H38NO3P
inchi: InChI=1S/C18H38NO3P/c1-4-7-15-19-18(13-11-10-12-14-18)23(20,21-16-8-5-2)22-17-9-6-3/h19H,4-17H2,1-3H3
notation: bumnfs
cas number: 51249-05-9
cas number: 60327-85-7
pubchem: 39966
iupac name: N-butyl-1-dibutoxyphosphorylcyclohexan-1-amine @en
inchikey: NMBXMBCZBXUXAM-UHFFFAOYSA-N
broader: CHEMONTID_0004482
smiles: CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC
in scheme: Conceptschema Chemische Stoffen

aziprotryn
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-]
broader: CHEMONTID_0004735
iupac name: 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine @en
inchi: InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)
pubchem: 3032472
notation: azptn
in scheme: Conceptschema Chemische Stoffen
inchikey: AFIIBUOYKYSPKB-UHFFFAOYSA-N
cas number: 4658-28-0
formula: C7H11N7S

1,4,5,8-tetraamino-9,10-anthrachinon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2475-45-8
in scheme: Conceptschema Chemische Stoffen
formula: C14H12N4O2
broader: CHEMONTID_0000151
inchi: InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2
iupac name: 1,4,5,8-tetraaminoanthracene-9,10-dione @en
notation: 1458T4Ao910a
inchikey: JSFUMBWFPQSADC-UHFFFAOYSA-N
pubchem: 17190

cerium 141
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: GWXLDORMOJMVQZ-OUBTZVSYSA-N
notation: Ce141
pubchem: 104814
iupac name: cerium-141 @en
cas number: 13967-74-3
broader: CHEMONTID_0000429
inchi: InChI=1S/Ce/i1+1
formula: Ce
smiles: [Ce]

butylparabeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C11H14O3
cas number: 94-26-8
cas number: 8068-49-3
inchikey: QFOHBWFCKVYLES-UHFFFAOYSA-N
inchi: InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
smiles: CCCCOC(=O)C1=CC=C(C=C1)O
iupac name: Butyl 4-hydroxybenzoate @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004702
notation: C4yprbn
pubchem: 7184

triallaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2303-17-5
notation: Talt
inchikey: MWBPRDONLNQCFV-UHFFFAOYSA-N
inchi: InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3
pubchem: 5543
formula: C10H16Cl3NOS
broader: CHEMONTID_0001368
iupac name: S-(2,3,3-trichloroprop-2-enyl) (di(propan-2-yl)amino)methanethioate @en
smiles: CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen

metoprololzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18)
formula: C14H21NO4
broader: CHEMONTID_0002341
iupac name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetic acid @en
pubchem: 62936
notation: metpllzr
smiles: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O
cas number: 56392-14-4
inchikey: PUQIRTNPJRFRCZ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

3-chloorpropeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 3-chloroprop-1-ene @en
smiles: C=CCCl
notation: 3ClC3e
inchikey: OSDWBNJEKMUWAV-UHFFFAOYSA-N
cas number: 107-05-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001516
inchi: InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2
formula: C3H5Cl
pubchem: 7850

hexadecafluorheptaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23
formula: C7F16
inchikey: LGUZHRODIJCVOC-UHFFFAOYSA-N
iupac name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 9553
broader: CHEMONTID_0001517
notation: hexdcFC7a
cas number: 335-57-9
cas number: 156930-32-4

4-chloor-n-methylaniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 70272
smiles: CNC1=CC=C(C=C1)Cl
iupac name: 4-Chloro-N-methylaniline @en
cas number: 932-96-7
notation: 4ClNC1yAn
in scheme: Conceptschema Chemische Stoffen
formula: C7H8ClN
alternative label: 4-chloor-N-methylaniline
broader: CHEMONTID_0003924
inchi: InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
inchikey: XCEYKKJMLOFDSS-UHFFFAOYSA-N

heptachloor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C10H5Cl7
notation: HpCl
pubchem: 3589
cas number: 76-44-8
cas number: 37229-06-4
cas number: 23720-59-4
broader: CHEMONTID_0002863
inchikey: FRCCEHPWNOQAEU-UHFFFAOYSA-N
inchi: InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H
iupac name: 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene @en

4-ethylbenzoezuur methylester
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: Methyl 4-ethylbenzoate @en
smiles: CCC1=CC=C(C=C1)C(=O)OC
pubchem: 23827
broader: CHEMONTID_0001350
inchikey: CAABRJFUDNBRJZ-UHFFFAOYSA-N
notation: 4C2ybzezC1yE
cas number: 7364-20-7
inchi: InChI=1S/C10H12O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7H,3H2,1-2H3
formula: C10H12O2

chloorthiofos
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: (3,4-dichloro-5-methylsulfanylphenoxy)-diethoxy-sulfanylidenephosphorane @en
formula: C11H15Cl2O3PS2
inchikey: SBLPWPLKGFWLKK-UHFFFAOYSA-N
smiles: CCOP(=S)(OCC)OC1=CC(=C(C(=C1)Cl)Cl)SC
notation: cltofs
cas number: 60238-56-4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004748
pubchem: 43239

dichloorprop-P
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
alternative label: dichloorprop-p
formula: C9H8Cl2O3
inchikey: MZHCENGPTKEIGP-RXMQYKEDSA-N
broader: CHEMONTID_0004676
iupac name: (2R)-2-(2,4-dichlorophenoxy)propanoic acid @en
notation: DClppP
pubchem: 119435
cas number: 15165-67-0
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1

tetrahydrothiofeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2
notation: T4Htofn
pubchem: 1127
cas number: 110-01-0
formula: C4H8S
inchikey: RAOIDOHSFRTOEL-UHFFFAOYSA-N
iupac name: Thiolane @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000233
smiles: C1CCSC1

chloorcyclohexaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C6H11Cl
smiles: C1CCC(CC1)Cl
in scheme: Conceptschema Chemische Stoffen
iupac name: Chlorocyclohexane @en
cas number: 542-18-7
notation: ClccC6a
inchikey: UNFUYWDGSFDHCW-UHFFFAOYSA-N
pubchem: 10952
broader: CHEMONTID_0004485
inchi: InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2

methamfetamine hydrochloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C10H16ClN
smiles: CC(CC1=CC=CC=C1)NC.Cl
notation: methafAeHCl
broader: CHEMONTID_0000188
cas number: 4298-16-2
cas number: 300-42-5
iupac name: N-methyl-1-phenylpropan-2-amine hydrochloride @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 9306
inchi: InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H
inchikey: TWXDDNPPQUTEOV-UHFFFAOYSA-N

bromadiolon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: IUZFQERQUZLNKQ-UHFFFAOYSA-N
broader: CHEMONTID_0002651
pubchem: 34322
inchi: InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32,34H,18H2
notation: bromdoln
cas number: 28772-56-7
in scheme: Conceptschema Chemische Stoffen
iupac name: 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-2-hydroxychromen-4-one @en
formula: C30H23BrO4

diflubenzuron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 53026-03-2
cas number: 104790-81-0
cas number: 51026-04-1
cas number: 66594-18-1
cas number: 35367-38-5
iupac name: N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide @en
in scheme: Conceptschema Chemische Stoffen
inchikey: QQQYTWIFVNKMRW-UHFFFAOYSA-N
pubchem: 37123
broader: CHEMONTID_0004513
formula: C14H9ClF2N2O2
notation: Dfbzrn

dipyridamol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2-[[2-(bis(2-hydroxyethyl)amino)-4,8-di(piperidin-1-yl)pyrimido[6,5-e]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol @en
formula: C24H40N8O4
pubchem: 3108
cas number: 58-32-2
alternative label: dipyramidol
inchikey: IZEKFCXSFNUWAM-UHFFFAOYSA-N
notation: Dpyrdml
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
broader: CHEMONTID_0003901

dibroom
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000548
alternative label: bromide
in scheme: Conceptschema Chemische Stoffen
cas number: 24959-67-9
cas number: 7726-95-6
formula: Br-
notation: Br
notation: Br2
smiles: [Br-]
pubchem: 259
inchikey: CPELXLSAUQHCOX-UHFFFAOYSA-M
iupac name: bromide @en
inchi: InChI=1S/BrH/h1H/p-1

gabapentine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001880
iupac name: 2-[1-(aminomethyl)cyclohexyl]acetic acid @en
smiles: C1CCC(CC1)(CC(=O)O)CN
cas number: 60142-96-3
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
inchikey: UGJMXCAKCUNAIE-UHFFFAOYSA-N
formula: C9H17NO2
pubchem: 3446
notation: gabptne

diazinon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: Daznn
iupac name: diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidenephosphorane @en
broader: CHEMONTID_0004771
in scheme: Conceptschema Chemische Stoffen
smiles: CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C
inchikey: FHIVAFMUCKRCQO-UHFFFAOYSA-N
inchi: InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
cas number: 30583-38-1
cas number: 333-41-5
cas number: 65863-03-8
cas number: 27936-40-9
formula: C12H21N2O3PS
pubchem: 3017

carbofuran
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C12H15NO3
cas number: 1563-66-2
broader: CHEMONTID_0004189
inchikey: DUEPRVBVGDRKAG-UHFFFAOYSA-N
smiles: CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C
iupac name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate @en
notation: carbfrn
in scheme: Conceptschema Chemische Stoffen
pubchem: 2566
inchi: InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)

5-ethylideen-2-norborneen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 5C2yid2nbnn
broader: CHEMONTID_0004622
iupac name: ['(5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene', '5-ethylidenebicyclo[2.2.1]hept-2-ene'] @en
inchikey: OJOWICOBYCXEKR-KRXBUXKQSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 16219-75-3
cas number: 59006-74-5
cas number: 62181-74-2
smiles: CC=C1CC2CC1C=C2
formula: C9H12
inchi: InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2+
pubchem: 5365543

difenylnitrosamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
broader: CHEMONTID_0000113
cas number: 86-30-6
formula: C12H10N2O
pubchem: 6838
smiles: C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O
in scheme: Conceptschema Chemische Stoffen
notation: DFyNOAe
inchikey: UBUCNCOMADRQHX-UHFFFAOYSA-N
iupac name: N,N-di(phenyl)nitrous amide @en

benzanthron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: HUKPVYBUJRAUAG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H
iupac name: benzo[a]phenalen-7-one @en
formula: C17H10O
cas number: 82-05-3
cas number: 57608-35-2
cas number: 116495-96-6
pubchem: 6697
notation: Benztn
broader: CHEMONTID_0000025
smiles: C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O

tebufenozide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
iupac name: N-tert-Butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide @en
in scheme: Conceptschema Chemische Stoffen
cas number: 142583-69-5
cas number: 112410-23-8
notation: tebfnzde
pubchem: 91773
inchikey: QYPNKSZPJQQLRK-UHFFFAOYSA-N
formula: C22H28N2O2
broader: CHEMONTID_0000176

alfa-tocoferol (vitamine e)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 10191-41-0
cas number: 4072-33-7
cas number: 59-02-9
cas number: 1406-18-4
cas number: 16826-11-2
cas number: 181591-70-8
cas number: 25094-97-7
cas number: 11105-14-9
iupac name: (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL @en
formula: C29H50O2
broader: CHEMONTID_0000201
inchikey: GVJHHUAWPYXKBD-IEOSBIPESA-N
inchi: InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
notation: atcfrl
pubchem: 14985
in scheme: Conceptschema Chemische Stoffen
alternative label: alfa-tocoferol (Vitamine E)

diclofop-methyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 75045-48-6
cas number: 51142-56-4
cas number: 51338-27-3
notation: DcfC1y
formula: C16H14Cl2O4
pubchem: 39985
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3
broader: CHEMONTID_0004155
inchikey: BACHBFVBHLGWSL-UHFFFAOYSA-N
iupac name: methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate @en

fenthion-oxon-sulfon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C10H15O6PS
notation: fentoOosfn
cas number: 14086-35-2
smiles: CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)(=O)C
inchikey: VUTHWSUXEOILTN-UHFFFAOYSA-N
inchi: InChI=1S/C10H15O6PS/c1-8-7-9(16-17(11,14-2)15-3)5-6-10(8)18(4,12)13/h5-7H,1-4H3
iupac name: dimethyl (3-methyl-4-methylsulfonylphenyl) phosphate @en
broader: CHEMONTID_0004233
pubchem: 26449

doxorubicine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 31703
in scheme: Conceptschema Chemische Stoffen
cas number: 23214-92-8
cas number: 23257-17-2
cas number: 29042-30-6
cas number: 25311-50-6
cas number: 24385-08-8
notation: doxrbcne
inchi: InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
broader: CHEMONTID_0002106
inchikey: AOJJSUZBOXZQNB-TZSSRYMLSA-N
iupac name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione @en
formula: C27H29NO11

2,4-D propyleen glycol butyl ether ester
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 24DC3yegC4yE
cas number: 1320-18-9
cas number: 1928-45-6
pubchem: 15997
alternative label: 2,4-d propyleen glycol butyl ether ester
broader: CHEMONTID_0000417
iupac name: 3-butoxypropyl 2-(2,4-dichlorophenoxy)acetate @en
inchikey: KZWPFFFDRDASOU-UHFFFAOYSA-N
inchi: InChI=1S/C15H20Cl2O4/c1-2-3-7-19-8-4-9-20-15(18)11-21-14-6-5-12(16)10-13(14)17/h5-6,10H,2-4,7-9,11H2,1H3
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCOCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
formula: C15H20Cl2O4

2-methoxypropylacetaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001238
cas number: 70657-70-4
iupac name: 2-Methoxypropyl acetate @en
notation: 2C1oxC3yactt
pubchem: 51132
smiles: CC(COC(=O)C)OC
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-5(8-3)4-9-6(2)7/h5H,4H2,1-3H3
in scheme: Conceptschema Chemische Stoffen
inchikey: BTZVKSVLFLRBRE-UHFFFAOYSA-N

terbacil
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl
inchi: InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)
in scheme: Conceptschema Chemische Stoffen
iupac name: 3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione @en
pubchem: 22188
notation: terbcl
broader: CHEMONTID_0001893
formula: C9H13ClN2O2
cas number: 5902-51-2
inchikey: NBQCNZYJJMBDKY-UHFFFAOYSA-N

androsteendion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C19H26O2
notation: andtdn
iupac name: (8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione @en
smiles: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C
cas number: 117598-81-9
cas number: 104534-78-3
cas number: 63-05-8
inchi: InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
broader: CHEMONTID_0001467
inchikey: AEMFNILZOJDQLW-QAGGRKNESA-N
pubchem: 6128

nonylfenoloctaethoxylaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C31H56O9/c1-2-3-4-5-6-7-8-9-30-10-12-31(13-11-30)40-29-28-39-27-26-38-25-24-37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32/h10-13,32H,2-9,14-29H2,1H3
pubchem: 72384
formula: C31H56O9
in scheme: Conceptschema Chemische Stoffen
cas number: 41506-14-3
cas number: 27177-05-5
notation: NPEO8
broader: CHEMONTID_0003338
inchikey: XXPRRHYTDCWGRP-UHFFFAOYSA-N

omethoaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C5H12NO4PS
inchi: InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)
iupac name: 2-dimethoxyphosphorylsulfanyl-N-methylacetamide @en
notation: omtat
in scheme: Conceptschema Chemische Stoffen
smiles: CNC(=O)CSP(=O)(OC)OC
cas number: 1113-02-6
pubchem: 14210
broader: CHEMONTID_0001663
inchikey: PZXOQEXFMJCDPG-UHFFFAOYSA-N

paroxetine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: paroetne
in scheme: Conceptschema Chemische Stoffen
pubchem: 43815
cas number: 110429-35-1
cas number: 61869-08-7
cas number: 63952-24-9
broader: CHEMONTID_0000303
formula: C19H20FNO3
inchikey: AHOUBRCZNHFOSL-YOEHRIQHSA-N
inchi: InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
iupac name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine @en

trioctylfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 5406-92-8
cas number: 51845-93-3
cas number: 25103-12-2
formula: C24H51O3P
notation: TC8yPO4
in scheme: Conceptschema Chemische Stoffen
iupac name: tris(6-methylheptyl) phosphite @en
smiles: CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C
broader: CHEMONTID_0004484
pubchem: 90714
inchi: InChI=1S/C24H51O3P/c1-22(2)16-10-7-13-19-25-28(26-20-14-8-11-17-23(3)4)27-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3
inchikey: DECPGQLXYYCNEZ-UHFFFAOYSA-N

alfa-fenylbenzeenmethanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: aFyBenC1ol
iupac name: di(phenyl)methanol @en
pubchem: 7037
inchi: InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
cas number: 91-01-0
inchikey: QILSFLSDHQAZET-UHFFFAOYSA-N
broader: CHEMONTID_0000369
formula: C13H12O
smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)O

triticonazool
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 131983-72-7
pubchem: 6436449
in scheme: Conceptschema Chemische Stoffen
notation: Ttcnzl
formula: C17H20ClN3O
inchikey: PPDBOQMNKNNODG-ZROIWOOFSA-N
broader: CHEMONTID_0001099
inchi: InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9-
iupac name: (5Z)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol @en

oxycarboxin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: AMEKQAFGQBKLKX-UHFFFAOYSA-N
notation: OxcbOxn
in scheme: Conceptschema Chemische Stoffen
pubchem: 21330
formula: C12H13NO4S
inchi: InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
cas number: 5259-88-1
broader: CHEMONTID_0000285
smiles: CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2
iupac name: 2-methyl-4,4-dioxo-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide @en

perfluorhexaansulfonamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide @en
broader: CHEMONTID_0003966
cas number: 41997-13-1
notation: PFHxSA
formula: C6H2F13NO2S
in scheme: Conceptschema Chemische Stoffen
inchikey: WDZLGCSJJWEQJO-UHFFFAOYSA-N
pubchem: 11603678

benzylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: WGQKYBSKWIADBV-UHFFFAOYSA-N
formula: C7H9N
cas number: 100-46-9
broader: CHEMONTID_0000185
pubchem: 7504
notation: benzAe
smiles: C1=CC=C(C=C1)CN
inchi: InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
iupac name: phenylmethanamine @en
in scheme: Conceptschema Chemische Stoffen

flucycloxuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 113036-88-7
inchikey: PCKNFPQPGUWFHO-UQRQXUALSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C25H20ClF2N3O3
broader: CHEMONTID_0001935
pubchem: 6537963
notation: fluccxrn

yttrium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 27151-36-6
cas number: 7440-65-5
cas number: 110123-45-0
inchikey: VWQVUPCCIRVNHF-UHFFFAOYSA-N
smiles: [Y]
inchi: InChI=1S/Y
broader: CHEMONTID_0000426
pubchem: 23993
notation: Y
formula: Y
in scheme: Conceptschema Chemische Stoffen
iupac name: YTTRIUM @en

1,3-propyleendiaminetatraazijnzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 2-[3-(bis(carboxymethyl)amino)propyl-(carboxymethyl)amino]acetic acid @en
inchikey: DMQQXDPCRUGSQB-UHFFFAOYSA-N
pubchem: 80296
cas number: 161122-34-5
cas number: 1939-36-2
broader: CHEMONTID_0002966
in scheme: Conceptschema Chemische Stoffen
smiles: C(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O
notation: 13C3yeDAeT4H
formula: C11H18N2O8
inchi: InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)

ethyleendiamine tetra(methyleen fosfonzuur) (edtmp)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: EDTMP
cas number: 1429-50-1
cas number: 57011-27-5
formula: C6H23N3O12P4
broader: CHEMONTID_0001302
inchi: InChI=1S/C6H20N2O12P4.H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);1H3
pubchem: 162806
iupac name: azane; [2-(bis(phosphonomethyl)amino)ethyl-(phosphonomethyl)amino]methylphosphonic acid @en
alternative label: ethyleendiamine tetra(methyleen fosfonzuur) (EDTMP)
in scheme: Conceptschema Chemische Stoffen
inchikey: STNSYZSNIYTNMI-UHFFFAOYSA-N

natrium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000425
pubchem: 923
in scheme: Conceptschema Chemische Stoffen
smiles: [Na+]
inchi: InChI=1S/Na/q+1
cas number: 7440-23-5
cas number: 17341-25-2
iupac name: sodium(+1) cation @en
inchikey: FKNQFGJONOIPTF-UHFFFAOYSA-N
notation: Na
alternative label: natrium, eenwaardig
formula: Na+

4,4'-dichloorbenzofenon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl
broader: CHEMONTID_0000120
inchi: InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
inchikey: OKISUZLXOYGIFP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 90-98-2
notation: 44DClbzfnn
formula: C13H8Cl2O
iupac name: bis(4-chlorophenyl)methanone @en
pubchem: 7034

demeton-S-methyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C6H15O3PS2
alternative label: demeton-s-methyl
pubchem: 13526
in scheme: Conceptschema Chemische Stoffen
smiles: CCSCCSP(=O)(OC)OC
notation: demtSC1y
inchikey: WEBQKRLKWNIYKK-UHFFFAOYSA-N
cas number: 919-86-8
inchi: InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3
broader: CHEMONTID_0001438
iupac name: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane @en

2,2-dichloorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C3H6Cl2
inchi: InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3
cas number: 594-20-7
iupac name: 2,2-DICHLOROPROPANE @en
inchikey: ZEOVXNVKXIPWMS-UHFFFAOYSA-N
pubchem: 11660
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)(Cl)Cl
notation: 22DClC3a

ethion
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
iupac name: diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
inchi: InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3
cas number: 563-12-2
notation: eton
formula: C9H22O4P2S4
smiles: CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
inchikey: RIZMRRKBZQXFOY-UHFFFAOYSA-N
pubchem: 3286

2,3,5-trimethylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001274
notation: 235TC1yFol
inchi: InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3
formula: C9H12O
pubchem: 12769
inchikey: OGRAOKJKVGDSFR-UHFFFAOYSA-N
cas number: 697-82-5
cas number: 70969-66-3
smiles: CC1=CC(=C(C(=C1)O)C)C
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,3,5-Trimethylphenol @en

1-tetradecanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 68002-95-9
cas number: 67762-42-9
cas number: 179607-28-4
cas number: 52439-75-5
cas number: 126339-60-4
cas number: 67762-30-5
cas number: 112-72-1
cas number: 126339-59-1
cas number: 71750-71-5
cas number: 8032-14-2
cas number: 67762-41-8
cas number: 68333-80-2
cas number: 63393-82-8
cas number: 75782-87-5
cas number: 68855-56-1
cas number: 150138-88-8
cas number: 60650-34-2
pubchem: 8209
notation: 1C14ol
broader: CHEMONTID_0002951
smiles: CCCCCCCCCCCCCCO
in scheme: Conceptschema Chemische Stoffen
iupac name: tetradecan-1-ol @en
inchikey: HLZKNKRTKFSKGZ-UHFFFAOYSA-N
formula: C14H30O
inchi: InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3

cycloaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
cas number: 1134-23-2
cas number: 71330-39-7
in scheme: Conceptschema Chemische Stoffen
formula: C11H21NOS
inchikey: DFCAFRGABIXSDS-UHFFFAOYSA-N
smiles: CCN(C1CCCCC1)C(=O)SCC
pubchem: 14337
notation: cycat
broader: CHEMONTID_0001368
iupac name: S-ethyl (cyclohexyl-ethylamino)methanethioate @en

pentaethyleenhexamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C(CNCCNCCNCCNCCN)N
formula: C10H28N6
inchi: InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2
iupac name: N,N'-bis[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine @en
notation: PeC2yHxAe
inchikey: LSHROXHEILXKHM-UHFFFAOYSA-N
pubchem: 19990
cas number: 778592-37-3
cas number: 4067-16-7
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen

1-isocyanaat-octadecaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: QWDQYHPOSSHSAW-UHFFFAOYSA-N
cas number: 112-96-9
cas number: 156520-08-0
iupac name: 1-Isocyanatooctadecane @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000501
formula: C19H37NO
notation: 1iCNC18a
smiles: CCCCCCCCCCCCCCCCCCN=C=O
pubchem: 66988

saccharose
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 86101-30-6
cas number: 100405-08-1
cas number: 25702-74-3
cas number: 146054-35-5
cas number: 80165-03-3
cas number: 78654-77-0
cas number: 104242-10-6
cas number: 29764-06-5
cas number: 64533-66-0
cas number: 30027-72-6
cas number: 50857-68-6
cas number: 8030-20-4
cas number: 85456-51-5
cas number: 8027-47-2
cas number: 87430-66-8
cas number: 9012-95-7
cas number: 92004-84-7
cas number: 146187-04-4
cas number: 51909-69-4
cas number: 131932-12-2
cas number: 47167-52-2
cas number: 29253-78-9
cas number: 220376-22-7
cas number: 47257-91-0
cas number: 65545-99-5
cas number: 75398-84-4
cas number: 57-50-1
cas number: 76056-38-7
cas number: 47185-09-1
cas number: 151756-02-4
inchi: InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
in scheme: Conceptschema Chemische Stoffen
iupac name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol @en
pubchem: 5988
inchikey: CZMRCDWAGMRECN-UGDNZRGBSA-N
notation: saccrse
broader: CHEMONTID_0002207
formula: C12H22O11

zinkpyrithion
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001764
cas number: 51148-10-8
cas number: 35430-20-7
cas number: 109702-19-4
cas number: 55172-61-7
cas number: 16782-00-6
cas number: 51406-57-6
cas number: 13463-41-7
cas number: 31089-48-2
cas number: 3138-01-0
cas number: 14376-32-0
cas number: 17652-47-0
cas number: 3590-23-6
cas number: 1192-70-7
cas number: 39412-61-8
cas number: 1320-68-9
cas number: 226883-65-4
cas number: 74261-71-5
cas number: 208398-70-3
cas number: 118480-78-7
cas number: 15686-64-3
cas number: 244778-79-8
cas number: 192458-89-2
cas number: 162400-43-3
notation: Znprton
inchi: InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2
pubchem: 26041
iupac name: zinc 1-oxidopyridin-1-ium-2-thiolate @en
formula: C10H8N2O2S2Zn
smiles: C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]
in scheme: Conceptschema Chemische Stoffen
inchikey: OTPSWLRZXRHDNX-UHFFFAOYSA-L

famoxadone
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 131807-57-3
inchi: InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3
broader: CHEMONTID_0004155
inchikey: PCCSBWNGDMYFCW-UHFFFAOYSA-N
formula: C22H18N2O4
pubchem: 213032
notation: famxdne
in scheme: Conceptschema Chemische Stoffen
iupac name: 5-methyl-5-[4-(phenoxy)phenyl]-3-(phenylamino)-1,3-oxazolidine-2,4-dione @en

etheen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C2H4
cas number: 87701-64-2
cas number: 68037-39-8
cas number: 74-85-1
cas number: 9002-88-4
cas number: 33060-30-9
cas number: 87701-65-3
inchikey: VGGSQFUCUMXWEO-UHFFFAOYSA-N
broader: CHEMONTID_0004476
smiles: C=C
pubchem: 6325
iupac name: Ethene @en
inchi: InChI=1S/C2H4/c1-2/h1-2H2
in scheme: Conceptschema Chemische Stoffen
notation: C2e

broombenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C6H5Br
notation: BrBen
iupac name: Bromobenzene @en
cas number: 108-86-1
pubchem: 7961
inchikey: QARVLSVVCXYDNA-UHFFFAOYSA-N
smiles: C1=CC=C(C=C1)Br
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001098
inchi: InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H

5-methylchryseen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: 5C1yChr
broader: CHEMONTID_0001142
smiles: CC1=CC2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3
cas number: 3697-24-3
inchikey: GOHBXWHNJHENRX-UHFFFAOYSA-N
iupac name: 5-METHYLCHRYSENE @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 19427
formula: C19H14
inchi: InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3

tris(dibroompropyl)isocyanuraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: NZUPFZNVGSWLQC-UHFFFAOYSA-N
broader: CHEMONTID_0001920
in scheme: Conceptschema Chemische Stoffen
pubchem: 103634
cas number: 52434-90-9
formula: C12H15Br6N3O3
iupac name: 1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione @en

microcystine-LW
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C54H72N8O12/c1-29(2)24-42-52(69)61-46(54(72)73)33(6)48(65)59-43(27-37-28-55-40-19-15-14-18-38(37)40)51(68)57-39(21-20-30(3)25-31(4)44(74-10)26-36-16-12-11-13-17-36)32(5)47(64)58-41(53(70)71)22-23-45(63)62(9)35(8)50(67)56-34(7)49(66)60-42/h11-21,25,28-29,31-34,39,41-44,46,55H,8,22-24,26-27H2,1-7,9-10H3,(H,56,67)(H,57,68)(H,58,64)(H,59,65)(H,60,66)(H,61,69)(H,70,71)(H,72,73)/b21-20-,30-25+
notation: MC-LW
cas number: 157622-02-1
formula: C54H72N8O12
alternative label: microcystine-lw
pubchem: 6442262
iupac name: 15-(1H-indol-3-ylmethyl)-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid @en
broader: CHEMONTID_0002010
inchikey: CJIASZBWXIFQMU-ZVXOBQGSSA-N

spinosynA
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
alternative label: spinosyna
inchi: InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1
formula: C41H65NO10
cas number: 131929-60-7
in scheme: Conceptschema Chemische Stoffen
inchikey: SRJQTHAZUNRMPR-UYQKXTDMSA-N
broader: CHEMONTID_0000282
notation: spinsnA
iupac name: (1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione @en
pubchem: 443059

natriumthiosulfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 10102-17-7
cas number: 7772-98-7
pubchem: 61475
smiles: O.O.O.O.O.[O-]S(=O)(=S)[O-].[Na+].[Na+]
inchi: InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5*1H2/q2*+1;;;;;;/p-2
notation: NatoSO4
inchikey: PODWXQQNRWNDGD-UHFFFAOYSA-L
broader: CHEMONTID_0000668
formula: H10Na2O8S2
in scheme: Conceptschema Chemische Stoffen
iupac name: disodium;dioxido-oxo-sulfanylidene-lambda6-sulfane;pentahydrate @en

propachlooroxalaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000060
iupac name: 2-oxo-2-(phenyl-propan-2-ylamino)acetic acid @en
smiles: CC(C)N(C1=CC=CC=C1)C(=O)C(=O)O
pubchem: 155385
in scheme: Conceptschema Chemische Stoffen
notation: propCloxlt
cas number: 70628-36-3
inchi: InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)
formula: C11H13NO3
inchikey: HYHJOUPYTUBFIX-UHFFFAOYSA-N

trimethylsilanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: [Li+].C[Si](C)(C)[O-]
notation: C3yslnl
inchi: InChI=1S/C3H9OSi.Li/c1-5(2,3)4;/h1-3H3;/q-1;+1
cas number: 2004-14-0
cas number: 1066-40-6
iupac name: lithium trimethyl-oxidosilane @en
formula: C3H9LiOSi
inchikey: OXOZHAWWRPCVGL-UHFFFAOYSA-N
broader: CHEMONTID_0004479
pubchem: 74821
in scheme: Conceptschema Chemische Stoffen

2,2',3,4,4'-pentabroomdifenylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen
inchikey: DMLQSUZPTTUUDP-UHFFFAOYSA-N
formula: C12H5Br5O
cas number: 182346-21-0
notation: PBDE85
iupac name: 1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene @en
pubchem: 177368
alternative label: 2,2',3,4,4'-pentabroomdifenylether (bde85)
inchi: InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H

n-(3-aminopropyl)-n-dodecylpropaan-1,3-diamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2372-82-9
notation: N3AoC3yN12yC
iupac name: N-(3-Aminopropyl)-N-dodecylpropane-1,3-diamine @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002239
smiles: CCCCCCCCCCCCN(CCCN)CCCN
pubchem: 75407
alternative label: N-(3-aminopropyl)-N-dodecylpropaan-1,3-diamine
inchi: InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3
inchikey: NYNKJVPRTLBJNQ-UHFFFAOYSA-N
formula: C18H41N3

bismut
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 24267-48-9
cas number: 17000-07-6
cas number: 25243-76-9
cas number: 7440-69-9
formula: Bi
iupac name: BISMUTH @en
in scheme: Conceptschema Chemische Stoffen
notation: Bi
inchikey: JCXGWMGPZLAOME-UHFFFAOYSA-N
pubchem: 5359367
smiles: [Bi]
inchi: InChI=1S/Bi
broader: CHEMONTID_0000427

perfluor-1-joodhexaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexane @en
broader: CHEMONTID_0001518
inchi: InChI=1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
inchikey: BULLJMKUVKYZDJ-UHFFFAOYSA-N
cas number: 355-43-1
formula: C6F13I
pubchem: 67733
notation: PF1IC6a

4-methylnonaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 28455
iupac name: 4-METHYLNONANE @en
inchikey: IALRSQMWHFKJJA-UHFFFAOYSA-N
formula: C10H22
inchi: InChI=1S/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3
smiles: CCCCCC(C)CCC
notation: 4C1yC9a
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004620
cas number: 17301-94-9

epsilon-hexachloorcyclohexaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: (1R,2R,3R,4S,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane @en
alternative label: ε-hexachlorocyclohexaan
alternative label: ε-1,2,3,4,5,6-hexachlorocyclohexaan
notation: eHCH
inchi: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5-,6-
in scheme: Conceptschema Chemische Stoffen
inchikey: JLYXXMFPNIAWKQ-DCLYFUHFNA-N
broader: CHEMONTID_0004485
cas number: 6108-10-7
formula: C6H6Cl6

isoxadifen-ethyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C18H17NO3
cas number: 163520-33-0
inchikey: MWKVXOJATACCCH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 6451155
notation: ixdfnC2y
inchi: InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
iupac name: ethyl 5,5-di(phenyl)-4H-1,2-oxazole-3-carboxylate @en
broader: CHEMONTID_0000369

2,2',3,3',4,5,6,6'-octachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: HHXNVASVVVNNDG-UHFFFAOYSA-N
formula: C12H2Cl8
cas number: 52663-73-7
notation: PCB199
in scheme: Conceptschema Chemische Stoffen
pubchem: 40480
inchi: InChI=1S/C12H2Cl8/c13-3-1-2-4(14)7(15)5(3)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H
broader: CHEMONTID_0003030
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,6-trichlorophenyl)benzene @en

isoforon diisocyanaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000501
cas number: 4098-71-9
cas number: 53880-05-0
formula: C12H18N2O2
inchi: InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3
inchikey: NIMLQBUJDJZYEJ-UHFFFAOYSA-N
iupac name: 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane @en
smiles: CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C
pubchem: 169132
notation: ifrDiCN
in scheme: Conceptschema Chemische Stoffen

gadoteridol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C17H29GdN4O7
broader: CHEMONTID_0002404
iupac name: gadolinium(+3) cation; 2-[4-(2-hydroxypropyl)-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate @en
smiles: CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3]
pubchem: 60714
inchikey: DPNNNPAKRZOSMO-UHFFFAOYSA-K
notation: gadtrdl
cas number: 120066-54-8
inchi: InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3
in scheme: Conceptschema Chemische Stoffen

alfuzosin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 81403-68-1
cas number: 81403-80-7
notation: alfzsn
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H
formula: C19H28ClN5O4
iupac name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide hydrochloride @en
broader: CHEMONTID_0002314
inchikey: YTNKWDJILNVLGX-UHFFFAOYSA-N
pubchem: 71764

2,6-dimethyl-4-heptanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: HXQPUEQDBSPXTE-UHFFFAOYSA-N
broader: CHEMONTID_0001661
cas number: 84295-44-3
cas number: 108-82-7
notation: 26DC1y4C7ol
formula: C9H20O
inchi: InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3
iupac name: 2,6-Dimethylheptan-4-ol @en
pubchem: 7957
smiles: CC(C)CC(CC(C)C)O
in scheme: Conceptschema Chemische Stoffen

polyvinylpropionaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 170016-12-3
cas number: 25035-84-1
cas number: 105-38-4
formula: C5H8O2
notation: polvnppont
in scheme: Conceptschema Chemische Stoffen
iupac name: ethenyl propanoate @en
pubchem: 7750
inchikey: UIWXSTHGICQLQT-UHFFFAOYSA-N
broader: CHEMONTID_0002354
inchi: InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3
smiles: CCC(=O)OC=C

4,4'-sulfonyldifenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 4-(4-hydroxyphenyl)sulfonylphenol @en
cas number: 80-09-1
cas number: 98388-00-2
broader: CHEMONTID_0004233
pubchem: 6626
formula: C12H10O4S
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H
smiles: C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O
notation: 44sulfnDFol
inchikey: VPWNQTHUCYMVMZ-UHFFFAOYSA-N

1-hydroxyethylideen-1,1-difosfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
cas number: 66216-98-6
cas number: 100511-44-2
cas number: 86159-18-4
cas number: 129130-42-3
cas number: 2809-21-4
cas number: 106908-76-3
cas number: 51888-66-5
cas number: 85985-26-8
inchikey: DBVJJBKOTRCVKF-UHFFFAOYSA-N
formula: C2H8O7P2
in scheme: Conceptschema Chemische Stoffen
notation: HEDP
smiles: CC(O)(P(=O)(O)O)P(=O)(O)O
pubchem: 3305
broader: CHEMONTID_0000327
iupac name: ['(1-hydroxy-1-phosphonoethyl)phosphonic acid', 'trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium'] @en

tolueensulfonamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C7H9NO2S
pubchem: 6924
iupac name: 2-Methylbenzenesulfonamide @en
notation: oTolsfAd
notation: TSA
alternative label: o-tolueensulfonamide
smiles: CC1=CC=CC=C1S(=O)(=O)N
broader: CHEMONTID_0000031
cas number: 8013-74-9
cas number: 1333-07-9
cas number: 88-19-7
in scheme: Conceptschema Chemische Stoffen
inchikey: YCMLQMDWSXFTIF-UHFFFAOYSA-N
inchi: InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)

cefobid
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1
cas number: 62893-19-0
cas number: 62893-20-3
inchikey: NCFTXMQPRQZFMZ-WERGMSTESA-M
broader: CHEMONTID_0001189
pubchem: 44186
formula: C25H26N9NaO8S2
iupac name: sodium (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en
in scheme: Conceptschema Chemische Stoffen

valnemuline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0002003
formula: C31H52N2O5S
inchikey: LLYYNOVSVPBRGV-NFQTWZMKSA-N
iupac name: [(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[(2-amino-3-methylbutanoyl)amino]-2-methylpropan-2-yl]sulfanylacetate @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 443605
cas number: 101312-92-9
inchi: InChI=1S/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)/t19?,20-,22+,24?,25-,26-,29+,30-,31-/m0/s1

chloroneb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2675-77-6
notation: Clnb
pubchem: 17581
formula: C8H8Cl2O2
smiles: COC1=CC(=C(C=C1Cl)OC)Cl
in scheme: Conceptschema Chemische Stoffen
inchikey: PFIADAMVCJPXSF-UHFFFAOYSA-N
broader: CHEMONTID_0004111
inchi: InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
iupac name: 1,4-Dichloro-2,5-dimethoxybenzene @en

1,2,3,5-tetrachloor-4,6-dimethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC1=C(C(=C(C(=C1Cl)Cl)Cl)C)Cl
pubchem: 70139
inchikey: NTUBJKOTTSFEEV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: 1235T4Cl46DC
inchi: InChI=1S/C8H6Cl4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3
cas number: 877-09-8
formula: C8H6Cl4
iupac name: 1,2,3,5-tetrachloro-4,6-dimethylbenzene @en
broader: CHEMONTID_0004209

2-fenylamino-ethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 2-(Phenylamino)ethanol @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003924
formula: C8H11NO
smiles: C1=CC=C(C=C1)NCCO
inchi: InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
notation: 2FyAoC2ol
pubchem: 31235
cas number: 122-98-5
inchikey: MWGATWIBSKHFMR-UHFFFAOYSA-N

di-ethyleentriaminepentaazijnzuur (dtpa)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 6889-50-5
cas number: 7575-40-8
cas number: 67-43-6
cas number: 25737-54-6
cas number: 49758-21-6
cas number: 13407-13-1
cas number: 84932-15-0
pubchem: 3053
alternative label: di-ethyleentriaminepentaazijnzuur (DTPA)
alternative label: diethyleentriaminepenta-azijnzuur
inchi: InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)
inchikey: QPCDCPDFJACHGM-UHFFFAOYSA-N
notation: DTPA
broader: CHEMONTID_0002995
in scheme: Conceptschema Chemische Stoffen
formula: C14H23N3O10
iupac name: 2-[bis[2-(bis(carboxymethyl)amino)ethyl]amino]acetic acid @en

radium 225
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 13981-53-8
formula: Ra
broader: CHEMONTID_0000428
pubchem: 6336607
smiles: [Ra]
iupac name: radium-225 @en
notation: Ra225
inchikey: HCWPIIXVSYCSAN-BJUDXGSMSA-N
inchi: InChI=1S/Ra/i1-1
in scheme: Conceptschema Chemische Stoffen

monocrotofos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0003459
inchikey: KRTSDMXIXPKRQR-AATRIKPKSA-N
smiles: CC(=CC(=O)NC)OP(=O)(OC)OC
cas number: 6923-22-4
cas number: 2157-98-4
cas number: 83857-41-4
pubchem: 5371562
notation: Mctfs
notation: azdn
alternative label: azodrin
formula: C7H14NO5P
iupac name: ['dimethyl (4-methylamino-4-oxobut-2-en-2-yl) phosphate', 'dimethyl [(E)-4-methylamino-4-oxobut-2-en-2-yl] phosphate'] @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+

fluometuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea @en
pubchem: 16562
cas number: 2164-17-2
inchi: InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)
inchikey: RZILCCPWPBTYDO-UHFFFAOYSA-N
formula: C10H11F3N2O
notation: fluomtrn
broader: CHEMONTID_0001935
smiles: CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
in scheme: Conceptschema Chemische Stoffen

2-ethylhexyldifenylfosfaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0004619
inchi: InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
inchikey: CGSLYBDCEGBZCG-UHFFFAOYSA-N
cas number: 1241-94-7
formula: C20H27O4P
iupac name: 2-Ethylhexyl diphenyl phosphate @en
pubchem: 14716
notation: 2C2yC6yDFyPO
in scheme: Conceptschema Chemische Stoffen

methanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 67-56-1
cas number: 54841-71-3
broader: CHEMONTID_0000286
smiles: CO
inchikey: OKKJLVBELUTLKV-UHFFFAOYSA-N
inchi: InChI=1S/CH4O/c1-2/h2H,1H3
formula: CH4O
in scheme: Conceptschema Chemische Stoffen
notation: C1ol
pubchem: 887
iupac name: methanol @en

tilmicosine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26?,27?,28-,29+,30-,31-,32+,33-,35?,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1
in scheme: Conceptschema Chemische Stoffen
cas number: 108050-54-0
broader: CHEMONTID_0000282
inchikey: JTSDBFGMPLKDCD-SWSPHLSKSA-N
iupac name: (5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-dimethylamino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione @en
formula: C46H80N2O13
pubchem: 6436128
notation: tilmcsne

radium 228
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: radium-228 @en
inchikey: HCWPIIXVSYCSAN-NJFSPNSNSA-N
smiles: [Ra]
formula: Ra
notation: Ra228
pubchem: 6328553
cas number: 15262-20-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000428
inchi: InChI=1S/Ra/i1+2

1,2-diethylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: KVNYFPKFSJIPBJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 135-01-3
cas number: 1300-82-9
cas number: 25340-17-4
inchi: InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3
broader: CHEMONTID_0002279
iupac name: 1,2-DIETHYLBENZENE @en
formula: C10H14
notation: 12DC2yBen
smiles: CCC1=CC=CC=C1CC
pubchem: 8657

dimetilan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 644-64-4
notation: dimtln
smiles: CC1=CC(=NN1C(=O)N(C)C)OC(=O)N(C)C
formula: C10H16N4O3
inchikey: RDBIYWSVMRVKSG-UHFFFAOYSA-N
inchi: InChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,1-5H3
pubchem: 12572
iupac name: [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate @en
broader: CHEMONTID_0000087

2,3-dimethylfenyl isocyanaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1591-99-7
smiles: CC1=C(C(=CC=C1)N=C=O)C
iupac name: 1-Isocyanato-2,3-dimethylbenzene @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H9NO/c1-7-4-3-5-9(8(7)2)10-6-11/h3-5H,1-2H3
broader: CHEMONTID_0004210
formula: C9H9NO
inchikey: KNHJIEOCVVIBIV-UHFFFAOYSA-N
pubchem: 137096
notation: 23DC1yFyiCN

metosulam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 139528-85-1
broader: CHEMONTID_0004682
pubchem: 86422
iupac name: N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide @en
inchikey: VGHPMIFEKOFHHQ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: metslm
formula: C14H13Cl2N5O4S

hymexazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 24781
cas number: 128907-24-4
cas number: 10004-44-1
inchikey: KGVPNLBXJKTABS-UHFFFAOYSA-N
notation: hymxzl
inchi: InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)
in scheme: Conceptschema Chemische Stoffen
formula: C4H5NO2
iupac name: 5-methyl-1,2-oxazol-3-one @en
broader: CHEMONTID_0000081
smiles: CC1=CC(=O)NO1

acrinathrin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C26H21F6NO5
inchi: InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11+
cas number: 103833-18-7
in scheme: Conceptschema Chemische Stoffen
pubchem: 6242405
notation: acntn
broader: CHEMONTID_0001461
inchikey: YLFSVIMMRPNPFK-VAWYXSNFSA-N
iupac name: ['[cyano-[3-(phenoxy)phenyl]methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[3-(phenoxy)phenyl]methyl] 3-[(E)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate'] @en

2,6-tolueendiamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 823-40-5
broader: CHEMONTID_0003965
notation: 26TolDAe
smiles: CC1=C(C=CC=C1N)N
inchikey: RLYCRLGLCUXUPO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 13205
inchi: InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3
iupac name: 2-methylbenzene-1,3-diamine @en
formula: C7H10N2

joxaglinezuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C24H21I6N5O8
inchikey: TYYBFXNZMFNZJT-UHFFFAOYSA-N
cas number: 59017-64-0
notation: joxgnzr
inchi: InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)
pubchem: 3742
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004361
iupac name: 3-[[2-[[3-(acetyl-methylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid @en

2-butenal (cis en trans)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 643950
smiles: CC=CC=O
cas number: 4170-30-3
inchikey: MLUCVPSAIODCQM-IHWYPQMZSA-N
formula: C4H6O
iupac name: (Z)-but-2-enal @en
inchi: InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2-
notation: aclinC1y
broader: CHEMONTID_0002436
in scheme: Conceptschema Chemische Stoffen

chloortoluron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
formula: C10H13ClN2O
smiles: CC1=C(C=C(C=C1)NC(=O)N(C)C)Cl
iupac name: 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea @en
inchikey: JXCGFZXSOMJFOA-UHFFFAOYSA-N
alternative label: chlorotoluron
cas number: 15545-48-9
cas number: 11111-56-1
notation: Cltlrn
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
pubchem: 27375

dikalium endothall
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: DKedtl
cas number: 2164-07-0
pubchem: 62431
inchikey: ZPZKADHMBHMAES-UHFFFAOYSA-L
formula: C8H8K2O5
inchi: InChI=1S/C8H10O5.2K/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2
smiles: C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[K+].[K+]
iupac name: dipotassium 7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylate @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000346

1,3-benzothiazool-2-sulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 30647
iupac name: 1,3-benzothiazole-2-sulfonic acid @en
cas number: 941-57-1
formula: C7H5NO3S2
broader: CHEMONTID_0000311
inchikey: ZCXGMSGCBDSEOY-UHFFFAOYSA-N
inchi: InChI=1S/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11)
notation: 13benztaz2sf
smiles: C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O

fenazon (antipyrine)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
alternative label: fenazon
inchikey: VEQOALNAAJBPNY-UHFFFAOYSA-N
broader: CHEMONTID_0002019
pubchem: 2206
cas number: 60-80-0
cas number: 5779-41-9
cas number: 123175-91-7
in scheme: Conceptschema Chemische Stoffen
formula: C11H12N2O
inchi: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
smiles: CC1=CC(=O)N(N1C)C2=CC=CC=C2
notation: fenzn
iupac name: 1,5-dimethyl-2-phenylpyrazol-3-one @en

cyproconazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C15H18ClN3O
in scheme: Conceptschema Chemische Stoffen
inchikey: UFNOUKDBUJZYDE-UHFFFAOYSA-N
pubchem: 86132
cas number: 113096-99-4
cas number: 94361-06-5
iupac name: 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol @en
inchi: InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
broader: CHEMONTID_0002811
notation: cypcnzl

pentachloorfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 39390-77-7
cas number: 87-86-5
cas number: 101802-54-4
inchi: InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
in scheme: Conceptschema Chemische Stoffen
notation: PeClFol
formula: C6HCl5O
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
broader: CHEMONTID_0002772
pubchem: 992
iupac name: 2,3,4,5,6-Pentachlorophenol @en
inchikey: IZUPBVBPLAPZRR-UHFFFAOYSA-N

fluorbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 10008
broader: CHEMONTID_0001100
notation: C6H5F
in scheme: Conceptschema Chemische Stoffen
cas number: 462-06-6
inchikey: PYLWMHQQBFSUBP-UHFFFAOYSA-N
iupac name: Fluorobenzene @en
inchi: InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
smiles: C1=CC=C(C=C1)F
formula: C6H5F

forchlorfenuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 68157-60-8
inchi: InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
pubchem: 93379
formula: C12H10ClN3O
in scheme: Conceptschema Chemische Stoffen
notation: fClfnrn
iupac name: 3-(2-chloropyridin-4-yl)-1-phenylurea @en
smiles: C1=CC=C(C=C1)NC(=O)NC2=CC(=NC=C2)Cl
broader: CHEMONTID_0004532
inchikey: GPXLRLUVLMHHIK-UHFFFAOYSA-N

polyvinylalcohol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 557-75-5
cas number: 9002-89-5
pubchem: 11199
notation: polvnachl
inchi: InChI=1S/C2H4O/c1-2-3/h2-3H,1H2
formula: C2H4O
in scheme: Conceptschema Chemische Stoffen
iupac name: Ethenol @en
inchikey: IMROMDMJAWUWLK-UHFFFAOYSA-N
broader: CHEMONTID_0000132
smiles: C=CO

flubendazole
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000120
iupac name: methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate @en
inchikey: CPEUVMUXAHMANV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: flubdzle
pubchem: 35802
alternative label: flubendazol
inchi: InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)
formula: C16H12FN3O3
cas number: 31430-15-6

benzoylbromide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: AQIHMSVIAGNIDM-UHFFFAOYSA-N
cas number: 618-32-6
notation: benzyBr
broader: CHEMONTID_0000176
pubchem: 12056
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H
formula: C7H5BrO
iupac name: BENZOYL BROMIDE @en
smiles: C1=CC=C(C=C1)C(=O)Br

octanal
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCC=O
iupac name: Octanal @en
formula: C8H16O
cas number: 124-13-0
broader: CHEMONTID_0002229
inchi: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
pubchem: 454
inchikey: NUJGJRNETVAIRJ-UHFFFAOYSA-N
notation: C8al

sec-butylamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000469
pubchem: 24874
inchi: InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
formula: C4H11N
inchikey: BHRZNVHARXXAHW-UHFFFAOYSA-N
iupac name: butan-2-amine @en
notation: secC4yAe
cas number: 13250-12-9
cas number: 13952-84-6
cas number: 513-49-5
cas number: 33966-50-6
cas number: 776995-07-4
in scheme: Conceptschema Chemische Stoffen
smiles: CCC(C)N

dikegulac-natrium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 52508-35-7
cas number: 55600-00-5
cas number: 55819-26-6
cas number: 62938-94-7
iupac name: sodium;(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate @en
smiles: CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)[O-])C.[Na+]
pubchem: 65419
formula: C12H17NaO7
notation: dikglNa
in scheme: Conceptschema Chemische Stoffen
inchikey: DEWVPZYHFVYXMZ-QCILGFJPSA-M
inchi: InChI=1S/C12H18O7.Na/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);/q;+1/p-1/t6-,7+,8-,12+;/m0./s1
broader: CHEMONTID_0004472

2,3',5,5'-tetrachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 38878
inchi: InChI=1S/C12H6Cl4/c13-8-1-2-12(16)11(6-8)7-3-9(14)5-10(15)4-7/h1-6H
broader: CHEMONTID_0003030
iupac name: 1,3-dichloro-5-(2,5-dichlorophenyl)benzene @en
formula: C12H6Cl4
notation: PCB72
inchikey: WBTMFEPLVQOWFI-UHFFFAOYSA-N
smiles: C1=CC(=C(C=C1Cl)C2=CC(=CC(=C2)Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
cas number: 41464-42-0

4-chloorfenyl fenylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C12H9ClO
inchi: InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
pubchem: 23436
notation: 4ClFyFyEtr
inchikey: PGPNJCAMHOJTEF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-chloro-4-(phenoxy)benzene @en
broader: CHEMONTID_0004155
cas number: 7005-72-3
cas number: 55398-86-2
smiles: C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl

diclofenac
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid @en
inchikey: DCOPUUMXTXDBNB-UHFFFAOYSA-N
pubchem: 3033
broader: CHEMONTID_0002564
cas number: 15307-86-5
notation: Dclofnc
formula: C14H11Cl2NO2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)

perfluor-n-undecaansulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: UKHUPOMCGUFNAP-UHFFFAOYSA-N
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecane-1-sulfonic acid @en
cas number: 749786-16-1
pubchem: 22141518
formula: C11HF23O3S
notation: PFUnDS
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C11HF23O3S/c12-1(13,2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32)3(16,17)5(20,21)7(24,25)9(28,29)11(33,34)38(35,36)37/h(H,35,36,37)

sebuthylazine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 109829-45-0
cas number: 7286-69-3
inchikey: BZRUVKZGXNSXMB-UHFFFAOYSA-N
formula: C9H16ClN5
in scheme: Conceptschema Chemische Stoffen
iupac name: N-butan-2-yl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine @en
notation: seC4yazne
smiles: CCC(C)NC1=NC(=NC(=N1)NCC)Cl
pubchem: 23712
inchi: InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
broader: CHEMONTID_0004734
alternative label: sebutylazine

cloquintoceet-mexyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate @en
pubchem: 93528
broader: CHEMONTID_0000417
inchikey: COYBRKAVBMYYSF-UHFFFAOYSA-N
inchi: InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3
cas number: 99607-70-2
formula: C18H22ClNO3
notation: cloqtcmxl

p-fenolsulfonzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C1=CC(=CC=C1O)S(=O)(=O)O
inchi: InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
cas number: 28469-73-0
cas number: 98-67-9
in scheme: Conceptschema Chemische Stoffen
inchikey: FEPBITJSIHRMRT-UHFFFAOYSA-N
formula: C6H6O4S
broader: CHEMONTID_0000032
iupac name: 4-Hydroxybenzenesulfonic acid @en
pubchem: 4765
notation: pFolsfzr

zilver
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: Ag
formula: Ag
cas number: 87354-45-8
cas number: 12553-68-3
cas number: 7440-22-4
cas number: 87370-84-1
cas number: 15046-91-0
broader: CHEMONTID_0000426
inchikey: BQCADISMDOOEFD-UHFFFAOYSA-N
pubchem: 23954
in scheme: Conceptschema Chemische Stoffen
smiles: [Ag]
inchi: InChI=1S/Ag
iupac name: Silver @en

2,2',3,3',4,5',6,6'-octachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
cas number: 40186-71-8
inchikey: LJQOBQLZTUSEJA-UHFFFAOYSA-N
notation: PCB201
iupac name: 1,2,3,5-tetrachloro-4-(2,3,5,6-tetrachlorophenyl)benzene @en
inchi: InChI=1S/C12H2Cl8/c13-3-1-6(16)11(19)12(20)7(3)8-9(17)4(14)2-5(15)10(8)18/h1-2H
pubchem: 38410
formula: C12H2Cl8

docetaxel
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: doctxl
broader: CHEMONTID_0000676
iupac name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate @en
formula: C43H53NO14
inchikey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N
pubchem: 148124
cas number: 114977-28-5
inchi: InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
in scheme: Conceptschema Chemische Stoffen

disulfoton-sulfoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: DsftSO
smiles: CCOP(=S)(OCC)SCCS(=O)CC
pubchem: 17242
inchi: InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3
in scheme: Conceptschema Chemische Stoffen
inchikey: UPUGLJYNCXXUQV-UHFFFAOYSA-N
formula: C8H19O3PS3
broader: CHEMONTID_0004164
cas number: 2497-07-6
iupac name: diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidenephosphorane @en

2-ethoxy-2-methylbutaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C7H16O
inchikey: KFRVYYGHSPLXSZ-UHFFFAOYSA-N
iupac name: 2-Ethoxy-2-methylbutane @en
smiles: CCC(C)(C)OCC
notation: 2C2ox2C1yC4a
broader: CHEMONTID_0001167
cas number: 919-94-8
inchi: InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 13527

2,4'-dichloordifenyldichlooretheen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 246598
alternative label: op'dichloordifenyldichlooretheen
alternative label: o,p’-dde
broader: CHEMONTID_0000369
formula: C14H8Cl4
inchikey: ZDYJWDIWLRZXDB-UHFFFAOYSA-N
cas number: 3424-82-6
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethenyl]benzene @en
notation: 24DDE
inchi: InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H

mcpa natriumzout
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: sodium 2-(4-chloro-2-methylphenoxy)acetate @en
cas number: 11100-01-9
cas number: 3653-48-3
cas number: 11114-06-0
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[Na+]
inchi: InChI=1S/C9H9ClO3.Na/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2-4H,5H2,1H3,(H,11,12);/q;+1/p-1
notation: MCPANazt
broader: CHEMONTID_0004525
pubchem: 19292
formula: C9H8ClNaO3
inchikey: STAPBGVGYWCRTF-UHFFFAOYSA-M
alternative label: MCPA natriumzout

isouron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003886
notation: iurn
cas number: 55861-78-4
inchi: InChI=1S/C10H17N3O2/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h6H,1-5H3,(H,11,12,14)
pubchem: 41648
iupac name: 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea @en
inchikey: JLLJHQLUZAKJFH-UHFFFAOYSA-N
smiles: CC(C)(C)C1=CC(=NO1)NC(=O)N(C)C
formula: C10H17N3O2
in scheme: Conceptschema Chemische Stoffen

metamitron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3
notation: mmtn
cas number: 41394-05-2
iupac name: 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5-one @en
formula: C10H10N4O
smiles: CC1=NN=C(C(=O)N1N)C2=CC=CC=C2
pubchem: 38854
broader: CHEMONTID_0004107
inchikey: VHCNQEUWZYOAEV-UHFFFAOYSA-N

paraldehyde
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: SQYNKIJPMDEDEG-UHFFFAOYSA-N
smiles: CC1OC(OC(O1)C)C
cas number: 51289-71-5
cas number: 1499-02-1
cas number: 123-63-7
inchi: InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 31264
formula: C6H12O3
broader: CHEMONTID_0001853
notation: parAh
iupac name: 2,4,6-Trimethyl-1,3,5-trioxane @en

chloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
is referenced by: LUC III 002
is referenced by: WAC V B 003
is referenced by: CMA 2 I C
is referenced by: WAC III D 020
smiles: [Cl-]
in scheme: Conceptschema Chemische Stoffen
inchikey: VEXZGXHMUGYJMC-UHFFFAOYSA-M
broader: CHEMONTID_0000548
formula: Cl-
iupac name: chloride @en
notation: Cl
cas number: 16887-00-6
inchi: InChI=1S/ClH/h1H/p-1
pubchem: 312

2-ethyltolueen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 2C2yTol
notation: C2yTol
inchi: InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
smiles: CCC1=CC=CC=C1C
cas number: 611-14-3
cas number: 25550-14-5
cas number: 25154-47-6
in scheme: Conceptschema Chemische Stoffen
alternative label: ethyltolueen
broader: CHEMONTID_0001091
formula: C9H12
iupac name: 1-Ethyl-2-methylbenzene @en
inchikey: HYFLWBNQFMXCPA-UHFFFAOYSA-N
pubchem: 11903

3,5-dichloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: PCB14
inchi: InChI=1S/C12H8Cl2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H
broader: CHEMONTID_0003030
cas number: 34883-41-5
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,3-dichloro-5-phenylbenzene @en
formula: C12H8Cl2
smiles: C1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl
inchikey: QHZSDTDMQZPUKC-UHFFFAOYSA-N
pubchem: 36981

difenamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 957-51-7
cas number: 73413-06-6
cas number: 5104-31-4
cas number: 12697-94-8
notation: DfAd
formula: C16H17NO
broader: CHEMONTID_0000369
inchikey: QAHFOPIILNICLA-UHFFFAOYSA-N
iupac name: N,N-dimethyl-2,2-di(phenyl)acetamide @en
pubchem: 13728
in scheme: Conceptschema Chemische Stoffen
smiles: CN(C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
inchi: InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3

thiocyclam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C5H11NS3
inchi: InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3
pubchem: 35970
broader: CHEMONTID_0001862
iupac name: N,N-dimethyltrithian-5-amine @en
smiles: CN(C)C1CSSSC1
notation: toccm
cas number: 84523-34-2
cas number: 31895-21-3
in scheme: Conceptschema Chemische Stoffen
inchikey: DNVLJEWNNDHELH-UHFFFAOYSA-N

n-methyl perfluoroctaansulfonamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: SRMWNTGHXHOWBT-UHFFFAOYSA-N
formula: C9H4F17NO2S
alternative label: n-methylperfluor-n-octaansulfonamide (mepfosa)
alternative label: N-methylperfluoroctaansulfonamide
alternative label: n-methylperfluor-n-octaansulfonamide
alternative label: N-methyl perfluoroctaansulfonamide
alternative label: n-methylperfluoroctaan-1-sulfonamide (mepfosa)
notation: MePFOSA
notation: MeFOSA
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-methyloctane-1-sulfonamide @en
cas number: 122526-47-0
cas number: 31506-32-8
broader: CHEMONTID_0003960
inchi: InChI=1S/C9H4F17NO2S/c1-27-30(28,29)9(25,26)7(20,21)5(16,17)3(12,13)2(10,11)4(14,15)6(18,19)8(22,23)24/h27H,1H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 3034468

uranium 237
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: JFALSRSLKYAFGM-BJUDXGSMSA-N
notation: U237
smiles: [U]
in scheme: Conceptschema Chemische Stoffen
iupac name: uranium-237 @en
pubchem: 167047
formula: U
cas number: 14269-75-1
broader: CHEMONTID_0000430
inchi: InChI=1S/U/i1-1

6-isopropyl-m-cresol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 6iC3ymcsl
formula: C10H14O
cas number: 89-83-8
inchikey: MGSRCZKZVOBKFT-UHFFFAOYSA-N
iupac name: 5-methyl-2-propan-2-ylphenol @en
inchi: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
smiles: CC1=CC(=C(C=C1)C(C)C)O
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000051
pubchem: 6989

haloperidol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 3559
iupac name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one @en
cas number: 52-86-8
notation: halprdl
inchikey: LNEPOXFFQSENCJ-UHFFFAOYSA-N
formula: C21H23ClFNO2
broader: CHEMONTID_0004298
inchi: InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2

2-hydroxy carbamazepine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 8-hydroxybenzo[b][1]benzazepine-11-carboxamide @en
inchikey: VPZIYMMSJFWLSP-UHFFFAOYSA-N
pubchem: 129274
cas number: 68011-66-5
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)
notation: 2HOxcbmzpne
formula: C15H12N2O2
broader: CHEMONTID_0000320

1,2-difenylhydrazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: C1=CC=C(C=C1)NNC2=CC=CC=C2
cas number: 38622-18-3
cas number: 122-66-7
cas number: 55299-18-8
pubchem: 31222
notation: 12DFyhdzne
iupac name: 1,2-di(phenyl)hydrazine @en
inchikey: YBQZXXMEJHZYMB-UHFFFAOYSA-N
formula: C12H12N2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H
broader: CHEMONTID_0000113

diafenthiuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 80060-09-9
inchikey: WOWBFOBYOAGEEA-UHFFFAOYSA-N
notation: Dfturn
iupac name: 3-tert-butyl-1-[4-(phenoxy)-2,6-di(propan-2-yl)phenyl]thiourea @en
pubchem: 91732
formula: C23H32N2OS
broader: CHEMONTID_0004155
inchi: InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)

nitrobenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 98-95-3
cas number: 26969-40-4
inchikey: LQNUZADURLCDLV-UHFFFAOYSA-N
smiles: C1=CC=C(C=C1)[N+](=O)[O-]
inchi: InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
in scheme: Conceptschema Chemische Stoffen
iupac name: ['Nitrobenzene', 'N-oxido-N-phenylhydroxylamine', 'N,N-dihydroxyaniline'] @en
notation: NO2Ben
broader: CHEMONTID_0000036
pubchem: 7416
formula: C6H5NO2

2-methyl-2-benzotriazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: PWORFEDVDWBHSJ-UHFFFAOYSA-N
pubchem: 85498
inchi: InChI=1S/C7H7N3/c1-10-8-6-4-2-3-5-7(6)9-10/h2-5H,1H3
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y2bztazl
iupac name: 2-Methylbenzotriazole @en
cas number: 16584-00-2
smiles: CN1N=C2C=CC=CC2=N1
formula: C7H7N3
broader: CHEMONTID_0000315

coumatetralyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: KIGBUEKEZHTCDR-UHFFFAOYSA-N
formula: C19H16O3
broader: CHEMONTID_0000145
pubchem: 22095
notation: coumttll
cas number: 5836-29-3
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-4-one @en
inchi: InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,21H,5,7,10H2

citalopram
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 2771
iupac name: 1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile @en
notation: citlpm
broader: CHEMONTID_0000014
inchi: InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
inchikey: WSEQXVZVJXJVFP-UHFFFAOYSA-N
cas number: 59729-33-8
smiles: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
formula: C20H21FN2O

diclofop
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: Dcfp
formula: C15H12Cl2O4
inchikey: OOLBCHYXZDXLDS-UHFFFAOYSA-N
iupac name: 2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID @en
pubchem: 38687
broader: CHEMONTID_0004674
inchi: InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)
cas number: 75045-49-7
cas number: 40843-25-2
in scheme: Conceptschema Chemische Stoffen

2-nitrofenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000141
cas number: 88-75-5
in scheme: Conceptschema Chemische Stoffen
iupac name: ['2-(dihydroxyamino)phenol', '2-Nitrophenol'] @en
smiles: C1=CC=C(C(=C1)[N+](=O)[O-])O
pubchem: 6947
notation: 2NO2Fol
inchi: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
formula: C6H5NO3
inchikey: IQUPABOKLQSFBK-UHFFFAOYSA-N

chinon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002494
inchikey: AZQWKYJCGOJGHM-UHFFFAOYSA-N
cas number: 106-51-4
cas number: 54560-36-0
cas number: 19052-63-2
cas number: 51226-74-5
cas number: 3225-29-4
iupac name: cyclohexa-2,5-diene-1,4-dione @en
inchi: InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
pubchem: 4650
formula: C6H4O2
notation: quinne
smiles: C1=CC(=O)C=CC1=O
in scheme: Conceptschema Chemische Stoffen

cholesta-5,24-dien-3-beta-ol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol @en
formula: C27H44O
broader: CHEMONTID_0001469
inchikey: AVSXSVCZWQODGV-DPAQBDIFSA-N
notation: chol524Den3b
cas number: 313-04-2
pubchem: 439577
inchi: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

3-chloorfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 3ClFol
inchi: InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
cas number: 108-43-0
pubchem: 7933
smiles: C1=CC(=CC(=C1)Cl)O
in scheme: Conceptschema Chemische Stoffen
formula: C6H5ClO
iupac name: 3-Chlorophenol @en
broader: CHEMONTID_0002770
inchikey: HORNXRXVQWOLPJ-UHFFFAOYSA-N

heptabroomdifenylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 139598-16-6
cas number: 113172-79-5
cas number: 68928-80-3
pubchem: 3034400
iupac name: 1,2,3,4,5-pentabromo-6-(2,3-dibromophenoxy)benzene @en
formula: C12H3Br7O
broader: CHEMONTID_0001845
inchi: InChI=1S/C12H3Br7O/c13-4-2-1-3-5(6(4)14)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H
inchikey: NLBLNZDNOSSGPW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

carbofenothion
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004631
pubchem: 13081
iupac name: (4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
cas number: 786-19-6
inchikey: VEDTXTNSFWUXGQ-UHFFFAOYSA-N
smiles: CCOP(=S)(OCC)SCSC1=CC=C(C=C1)Cl
notation: carbfnton
in scheme: Conceptschema Chemische Stoffen
formula: C11H16ClO2PS3

2-(cyclohexylaminothio)benzothiazool
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000311
notation: 2ccC6yAotobz
iupac name: N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine @en
inchi: InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
in scheme: Conceptschema Chemische Stoffen
cas number: 95-33-0
cas number: 108251-59-8
cas number: 51540-81-9
cas number: 156014-54-9
pubchem: 7232
smiles: C1CCC(CC1)NSC2=NC3=CC=CC=C3S2
inchikey: DEQZTKGFXNUBJL-UHFFFAOYSA-N
formula: C13H16N2S2

endrin aldehyde
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C12H8Cl6O
alternative label: endrinaldehyde
pubchem: 522524
inchikey: HCTWZIFNBBCVGM-UHFFFAOYSA-N
broader: CHEMONTID_0001549
notation: endAh
inchi: InChI=1S/C12H8Cl6O/c13-8-5-3(2-19)1-4-6(5)9(14,12(8,17)18)11(16)7(4)10(8,11)15/h2-7H,1H2
cas number: 7421-93-4
iupac name: 3,4,5,6,6,7-hexachloropentacyclo[6.3.0.02,4.03,7.05,9]undecane-10-carbaldehyde @en
in scheme: Conceptschema Chemische Stoffen

gallium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/Ga
formula: Ga
iupac name: GALLIUM @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 5360835
cas number: 7440-55-3
cas number: 15091-79-9
broader: CHEMONTID_0000427
inchikey: GYHNNYVSQQEPJS-UHFFFAOYSA-N
smiles: [Ga]
notation: Ga

jodium 131
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: I131
pubchem: 24855
smiles: II
in scheme: Conceptschema Chemische Stoffen
inchikey: PNDPGZBMCMUPRI-HVTJNCQCSA-N
cas number: 10043-66-0
cas number: 24267-56-9
iupac name: Iodine-131 @en
broader: CHEMONTID_0000432
formula: I2
inchi: InChI=1S/I2/c1-2/i1+4,2+4

broomazijnzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
formula: C2H3BrO2
inchikey: KDPAWGWELVVRCH-UHFFFAOYSA-N
cas number: 79-08-3
cas number: 418768-49-7
broader: CHEMONTID_0003000
notation: BrHAc
in scheme: Conceptschema Chemische Stoffen
pubchem: 6227
smiles: C(C(=O)O)Br
iupac name: 2-Bromoacetic acid @en

hypochloorzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: QWPPOHNGKGFGJK-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: HOCl
cas number: 26190-92-1
cas number: 14333-29-0
cas number: 7790-92-3
iupac name: HYPOCHLOROUS ACID @en
broader: CHEMONTID_0001057
inchi: InChI=1S/ClHO/c1-2/h2H
pubchem: 24341
formula: ClHO
smiles: OCl

menthol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: NOOLISFMXDJSKH-KXUCPTDWSA-N
notation: mentl
in scheme: Conceptschema Chemische Stoffen
formula: C10H20O
cas number: 2216-51-5
cas number: 89-78-1
cas number: 98167-53-4
pubchem: 16666
smiles: CC1CCC(C(C1)O)C(C)C
broader: CHEMONTID_0001401
inchi: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
iupac name: (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol @en

oxamyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: Oaml
pubchem: 9595287
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001664
formula: C7H13N3O3S
cas number: 23135-22-0
inchikey: KZAUOCCYDRDERY-UITAMQMPSA-N
iupac name: [(2-dimethylamino-1-methylsulfanyl-2-oxoethylidene)amino] N-methylcarbamate @en
smiles: CNC(=O)ON=C(C(=O)N(C)C)SC
inchi: InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-

barium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 5355457
iupac name: BARIUM @en
cas number: 7440-39-3
in scheme: Conceptschema Chemische Stoffen
notation: Ba
smiles: [Ba]
inchikey: DSAJWYNOEDNPEQ-UHFFFAOYSA-N
broader: CHEMONTID_0000428
inchi: InChI=1S/Ba
formula: Ba

2-fenylpyridine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: 2Fyprdne
in scheme: Conceptschema Chemische Stoffen
formula: C11H9N
iupac name: 2-PHENYLPYRIDINE @en
cas number: 1008-89-5
cas number: 94928-86-6
smiles: C1=CC=C(C=C1)C2=CC=CC=N2
inchi: InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H
broader: CHEMONTID_0002317
pubchem: 13887
inchikey: VQGHOUODWALEFC-UHFFFAOYSA-N

carbosulfan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004189
pubchem: 41384
notation: carbsfn
formula: C20H32N2O3S
iupac name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate @en
cas number: 73468-61-8
cas number: 55285-14-8
inchi: InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3
inchikey: JLQUFIHWVLZVTJ-UHFFFAOYSA-N

piperonyl-butoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 5794
smiles: CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2
inchikey: FIPWRIJSWJWJAI-UHFFFAOYSA-N
cas number: 12750-92-4
cas number: 51-03-6
cas number: 63993-73-7
iupac name: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole @en
broader: CHEMONTID_0000296
inchi: InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3
notation: piprnbO
formula: C19H30O5

joodmethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CI
iupac name: Iodomethane @en
inchi: InChI=1S/CH3I/c1-2/h1H3
inchikey: INQOMBQAUSQDDS-UHFFFAOYSA-N
formula: CH3I
cas number: 147937-07-3
cas number: 74-88-4
pubchem: 6328
in scheme: Conceptschema Chemische Stoffen
notation: IC1a
broader: CHEMONTID_0004157

2-benzothiazolsulfonamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C18H17N3S4
inchi: InChI=1S/C18H17N3S4/c1-18(2,3)21(24-16-19-12-8-4-6-10-14(12)22-16)25-17-20-13-9-5-7-11-15(13)23-17/h4-11H,1-3H3
in scheme: Conceptschema Chemische Stoffen
inchikey: VILGDADBAQFRJE-UHFFFAOYSA-N
pubchem: 77344
broader: CHEMONTID_0000311
iupac name: N,N-bis(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine @en
cas number: 3741-80-8
notation: 2bztazsfAd

n-(alfa-methylfenethyl) acetamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000188
alternative label: N-(alfa-methylfenethyl) acetamide
inchikey: YPKBVWZHVTZSPU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C11H15NO/c1-9(12-10(2)13)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)
smiles: CC(CC1=CC=CC=C1)NC(=O)C
pubchem: 26660
formula: C11H15NO
cas number: 14383-60-9
iupac name: N-(1-phenylpropan-2-yl)acetamide @en
notation: NaC1yFC2yAd

aldicarbsulfon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
broader: CHEMONTID_0000505
smiles: CC(C)(C=NOC(=O)NC)S(=O)(=O)C
cas number: 60005-95-0
cas number: 1646-88-4
in scheme: Conceptschema Chemische Stoffen
iupac name: [(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate @en
pubchem: 9570093
notation: alDcsfn
formula: C7H14N2O4S
inchikey: YRRKLBAKDXSTNC-WEVVVXLNSA-N

tetrapropylammoniumbromide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: T4C3yNH3Br
cas number: 65129-03-5
cas number: 65129-05-7
cas number: 1941-30-6
in scheme: Conceptschema Chemische Stoffen
inchikey: BGQMOFGZRJUORO-UHFFFAOYSA-M
broader: CHEMONTID_0004225
smiles: CCC[N+](CCC)(CCC)CCC.[Br-]
pubchem: 74745
iupac name: tetrapropylazanium bromide @en
inchi: InChI=1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
formula: C12H28BrN

1-butoxy-2-propanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: RWNUSVWFHDHRCJ-UHFFFAOYSA-N
notation: 1C4ox2C3ol
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3
iupac name: 1-Butoxypropan-2-ol @en
broader: CHEMONTID_0001661
formula: C7H16O2
pubchem: 21210
smiles: CCCCOCC(C)O
cas number: 5131-66-8

flubendiamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: flubDad
broader: CHEMONTID_0004713
inchikey: ZGNITFSDLCMLGI-UHFFFAOYSA-N
iupac name: 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide @en
formula: C23H22F7IN2O4S
in scheme: Conceptschema Chemische Stoffen
pubchem: 11193251
cas number: 272451-65-7

amylacetaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001238
notation: amactt
iupac name: Pentyl acetate @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 12348
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
cas number: 628-63-7
smiles: CCCCCOC(=O)C
inchikey: PGMYKACGEOXYJE-UHFFFAOYSA-N

4-vinyl-1-cyclohexeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 7499
formula: C8H12
notation: 4vn1ccC6e
iupac name: 4-Ethenylcyclohexene @en
broader: CHEMONTID_0000017
cas number: 92619-43-7
cas number: 100-40-3
inchikey: BBDKZWKEPDTENS-UHFFFAOYSA-N
inchi: InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2
smiles: C=CC1CCC=CC1
in scheme: Conceptschema Chemische Stoffen

kaliumhydroxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: HKO
in scheme: Conceptschema Chemische Stoffen
inchikey: KWYUFKZDYYNOTN-UHFFFAOYSA-M
cas number: 71769-53-4
cas number: 1310-58-3
cas number: 29857-72-5
iupac name: POTASSIUM HYDROXIDE @en
notation: KOH
pubchem: 14797
smiles: [OH-].[K+]
broader: CHEMONTID_0000638
inchi: InChI=1S/K.H2O/h;1H2/q+1;/p-1

flonicamid
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C9H6F3N3O
in scheme: Conceptschema Chemische Stoffen
inchikey: RLQJEEJISHYWON-UHFFFAOYSA-N
smiles: C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N
broader: CHEMONTID_0002253
inchi: InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)
cas number: 158062-67-0
pubchem: 9834513
iupac name: N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide @en
notation: floncmd

dinatriumtetraboraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: [B+3].[B+3].[B+3].[B+3].O.O.O.O.O.O.O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Na+].[Na+]
pubchem: 3048787
iupac name: disodium; boron(+3) cation; oxygen(-2) anion; heptahydrate @en
inchi: InChI=1S/4B.2Na.7H2O.7O/h;;;;;;7*1H2;;;;;;;/q4*+3;2*+1;;;;;;;;7*-2
broader: CHEMONTID_0000534
inchikey: HJIQVKXMQOLFFS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 1330-43-4
cas number: 63989-70-8
notation: Na2B4O7
formula: B4H14Na2O14

antimoon 127
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000431
inchikey: WATWJIUSRGPENY-BKFZFHPZSA-N
smiles: [Sb]
in scheme: Conceptschema Chemische Stoffen
cas number: 13968-50-8
pubchem: 6335314
iupac name: antimony-127 @en
inchi: InChI=1S/Sb/i1+5
formula: Sb
notation: Sb127

4H-cyclopenta[d,e,f]fenantreen-4-on
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C15H8O
inchi: InChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H
smiles: C1=CC2=C3C(=C1)C(=O)C4=CC=CC(=C43)C=C2
in scheme: Conceptschema Chemische Stoffen
inchikey: IFCBMPOMNSORDG-UHFFFAOYSA-N
cas number: 5737-13-3
notation: 4HccPedefFen
iupac name: tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one @en
pubchem: 21963
alternative label: 4h-cyclopenta[d,e,f]fenantreen-4-on
broader: CHEMONTID_0000025

Chemische stoffen die in water gemeten worden.
type: Collection
member: 2,4-dichloorfenol
member: pyreen
member: indeno(1,2,3-c,d)pyreen
member: 1-chloor-2,3-epoxypropaan (epichloorhydrine)
member: dimethylsulfamide
member: ? -chloortolueen
member: methyl-tertiair-butylether
member: thiamethoxam
member: acenaftyleen
member: amoxicilline
member: demeton-S-methyl
member: butylhydroxytolueen
member: metobromuron
member: benzylbutylftalaat
member: 1,2,4-trichloorbenzeen
member: azinfos-methyl
member: waterstofcarbonaat
member: alfa,alfa-dichloortolueen
member: ciprofloxacine
member: 1,2,3,4,6,7,8,9-octachloordibenzo-p-dioxine
member: chloropreen
member: 1,2,3,4,7,8,9-heptachloordibenzofuraan
member: 2-chloorfenol
member: propyzamide
member: bifenox
member: atrazine
member: beryllium
member: demeton-S
member: zwavel
member: glyfosaat
member: 2-chloortolueen
member: 4-tertiair-octylfenol
member: 3,5-dichlooraniline
member: ametryn
member: (2,4-dichloorfenoxy)azijnzuur (2,4-d)
member: methanal (formaldehyde)
member: 4-chloor-2-nitroaniline
member: telodrin
member: dibenzo(a,i)pyreen
member: cis-nonachloor
member: fenamifos
member: 2-chloor-4-nitrotolueen
member: kalium, eenwaardig
member: acrylamide
member: ethyleendiaminetetraethaanzuur (edta)
member: 1,2-dichloorethaan
member: pyrimethanil
member: chloorthalonil
member: bde 100
member: metribuzin
member: propanil
member: 1,2,3,6,7,8-hexachloordibenzo-p-dioxine
member: silicium
member: metalaxyl
member: cis-1,2-dichloorpropeen
member: 2,6-dichloor-4-nitroaniline
member: perfluoroctaanzuur
member: 2,6-dichloorfenol
member: chloordaan
member: hexachloorethaan
member: carbonaat
member: tolueen
member: 2,2',3,3',4,4',5-heptachloorbifenyl (pcb170)
member: bromacil
member: dicofol
member: 1,2,3,7,8-pentachloordibenzofuran
member: ijzer
member: pendimethalin
member: dibutyltin
member: antimoon
member: ethoprofos
member: chloride
member: demeton
member: 2,3-dichloorpropeen
member: ethylbenzeen
member: zink
member: tributyltin
member: diflufenican
member: bromaat

methyl-tertiair-butylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C5H12O
alternative label: methyl-tert.butyl-ether (mtbe)
inchi: InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
pubchem: 15413
broader: CHEMONTID_0001167
notation: C1yttC4yEtr
iupac name: 2-Methoxy-2-methylpropane @en
smiles: CC(C)(C)OC
in scheme: Conceptschema Chemische Stoffen
cas number: 1634-04-4
inchikey: BZLVMXJERCGZMT-UHFFFAOYSA-N

benzylbutylftalaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: IRIAEXORFWYRCZ-UHFFFAOYSA-N
iupac name: O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate @en
broader: CHEMONTID_0001350
alternative label: butylbenzylftalaat
cas number: 58128-78-2
cas number: 85-68-7
pubchem: 2347
in scheme: Conceptschema Chemische Stoffen
notation: benzC4yFt
inchi: InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
formula: C19H20O4
smiles: CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

alfa,alfa-dichloortolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 98-87-3
cas number: 29797-40-8
cas number: 37808-21-2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
pubchem: 7411
iupac name: Dichloromethylbenzene @en
formula: C7H6Cl2
alternative label: alfa-alfa-dichloortolueen (benzalchloride)
alternative label: alfa-alfa-dichloortolueen
smiles: C1=CC=C(C=C1)C(Cl)Cl
broader: CHEMONTID_0002279
notation: aaDClTol
inchikey: CAHQGWAXKLQREW-UHFFFAOYSA-N

ciprofloxacine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid @en
notation: cipfxcne
inchikey: MYSWGUAQZAJSOK-UHFFFAOYSA-N
broader: CHEMONTID_0002552
formula: C17H18FN3O3
cas number: 85721-33-1
pubchem: 2764

dibenzo(a,i)pyreen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H
formula: C24H14
inchikey: JNTHRSHGARDABO-UHFFFAOYSA-N
broader: CHEMONTID_0000316
pubchem: 9119
cas number: 191-30-0
in scheme: Conceptschema Chemische Stoffen
iupac name: hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene @en
notation: DBaiP

kalium, eenwaardig
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 813
in scheme: Conceptschema Chemische Stoffen
formula: K+
cas number: 7440-09-7
cas number: 24203-36-9
inchi: InChI=1S/K/q+1
alternative label: kalium
smiles: [K+]
iupac name: potassium(+1) cation @en
notation: K
inchikey: NPYPAHLBTDXSSS-UHFFFAOYSA-N
broader: CHEMONTID_0000425

chloorthalonil
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: Cltlnl
pubchem: 15910
formula: C8Cl4N2
inchi: InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
cas number: 1897-45-6
cas number: 101963-73-9
cas number: 37223-69-1
inchikey: CRQQGFGUEAVUIL-UHFFFAOYSA-N
smiles: C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl
iupac name: 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile @en
broader: CHEMONTID_0001530

bromacil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 314-40-9
smiles: CCC(C)N1C(=O)C(=C(NC1=O)C)Br
iupac name: 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione @en
inchikey: CTSLUCNDVMMDHG-UHFFFAOYSA-N
inchi: InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)
broader: CHEMONTID_0001893
notation: bromcl
pubchem: 9411
formula: C9H13BrN2O2

zink
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 23994
cas number: 12793-53-2
cas number: 195161-85-4
cas number: 15176-26-8
cas number: 7440-66-6
cas number: 19229-95-9
cas number: 199281-21-5
inchikey: HCHKCACWOHOZIP-UHFFFAOYSA-N
notation: Zn
smiles: [Zn]
iupac name: Zinc @en
inchi: InChI=1S/Zn
broader: CHEMONTID_0000426
formula: Zn
in scheme: Conceptschema Chemische Stoffen

dichloorpropanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: DEWLEGDTCGBNGU-UHFFFAOYSA-N
cas number: 148584-48-9
cas number: 96-23-1
cas number: 26602-95-9
cas number: 26545-73-3
cas number: 27988-86-9
smiles: C(C(CCl)O)Cl
iupac name: 1,3-Dichloropropan-2-ol @en
alternative label: 1,3-dichloor-2-propanol
notation: DClC3ol
notation: 13DCl2C3ol
pubchem: 7289
formula: C3H6Cl2O
broader: CHEMONTID_0002608
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2

som 4-nonylfenol-isomeren (vertakt)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: s4C9yFol
iupac name: 4-(7-methyloctyl)phenol @en
cas number: 84852-15-3
cas number: 24518-48-7
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C15H24O/c1-13(2)7-5-3-4-6-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3
formula: C15H24O
pubchem: 338733
smiles: CC(C)CCCCCCC1=CC=C(C=C1)O
broader: CHEMONTID_0004646
inchikey: JSFITYFUKSFPBZ-UHFFFAOYSA-N

3-chloortolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001099
notation: 3ClTol
smiles: CC1=CC(=CC=C1)Cl
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-Chloro-3-methylbenzene @en
inchi: InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
cas number: 108-41-8
formula: C7H7Cl
inchikey: OSOUNOBYRMOXQQ-UHFFFAOYSA-N
pubchem: 7931

2-amino-4-chloorfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: SWFNPENEBHAHEB-UHFFFAOYSA-N
cas number: 95-85-2
broader: CHEMONTID_0002772
smiles: C1=CC(=C(C=C1Cl)N)O
notation: 2Ao4ClFol
inchi: InChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
formula: C6H6ClNO
iupac name: 2-Amino-4-chlorophenol @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 7265

1-chloor-3-nitrobenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
cas number: 121-73-3
notation: 1Cl3NO2Ben
iupac name: 1-Chloro-3-nitrobenzene @en
smiles: C1=CC(=CC(=C1)Cl)[N+](=O)[O-]
inchi: InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
inchikey: KMAQZIILEGKYQZ-UHFFFAOYSA-N
pubchem: 8489
formula: C6H4ClNO2

1,1-dichloorethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 75-34-3
broader: CHEMONTID_0001516
iupac name: 1,1-DICHLOROETHANE @en
smiles: CC(Cl)Cl
formula: C2H4Cl2
inchikey: SCYULBFZEHDVBN-UHFFFAOYSA-N
pubchem: 6365
notation: 11DClC2a
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3

imidacloprid
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 105827-78-9
cas number: 138261-41-3
inchi: InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
formula: C9H10ClN5O2
in scheme: Conceptschema Chemische Stoffen
notation: imdcpd
smiles: C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl
pubchem: 86418
iupac name: N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide @en
broader: CHEMONTID_0004667
inchikey: YWTYJOPNNQFBPC-UHFFFAOYSA-N

nitraat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001062
cas number: 14797-55-8
cas number: 84145-82-4
inchikey: NHNBFGGVMKEFGY-UHFFFAOYSA-N
inchi: InChI=1S/NO3/c2-1(3)4/q-1
smiles: [N+](=O)([O-])[O-]
is referenced by: WAC III C 002
is referenced by: CMA 2 IV 4
is referenced by: WAC III D 032
in scheme: Conceptschema Chemische Stoffen
pubchem: 943
notation: NO3
iupac name: ['NITRATE', 'azonic acid'] @en
formula: NO3-

secundair-butylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: secC4yBen
notation: sC4yBen
alternative label: sec-butylbenzeen
alternative label: butylbenzeen (vertakt en lineair)
smiles: CCC(C)C1=CC=CC=C1
cas number: 5787-28-0
cas number: 68411-44-9
cas number: 36383-15-0
cas number: 135-98-8
inchikey: ZJMWRROPUADPEA-UHFFFAOYSA-N
inchi: InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
iupac name: butan-2-ylbenzene @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 8680
broader: CHEMONTID_0002811
formula: C10H14

1,2-dichloorpropaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 68390-96-5
cas number: 78-87-5
cas number: 26198-63-0
smiles: CC(CCl)Cl
in scheme: Conceptschema Chemische Stoffen
pubchem: 6564
broader: CHEMONTID_0001516
inchikey: KNKRKFALVUDBJE-UHFFFAOYSA-N
inchi: InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
notation: 12DClC3a
formula: C3H6Cl2
iupac name: 1,2-Dichloropropane @en

ammonium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
is referenced by: WAC III E 022
is referenced by: CMA 2 I E.2
is referenced by: CMA 2 I E.1
is referenced by: WAC III E 021
is referenced by: WAC IV A 003
is referenced by: LUC VII 001
is referenced by: CMA 2 I E.4
is referenced by: WAC III E 023
is referenced by: CMA 2 II A.16
is referenced by: WAC III D 030
is referenced by: CMA 2 I E
is referenced by: CMA 2 I C.8
is referenced by: WAC V B 003
is referenced by: WAC III E 020
is referenced by: LUC III 003
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/H3N/h1H3/p+1
cas number: 14158-23-7
cas number: 6684-80-6
cas number: 14798-03-9
pubchem: 223
iupac name: ['azanium', 'nitrogen(+1) dihydride cation'] @en
formula: H4N+
broader: CHEMONTID_0000434
inchikey: QGZKDVFQNNGYKY-UHFFFAOYSA-O
smiles: [NH4+]
notation: NH4

erytromycine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 82343-12-2
cas number: 114-07-8
pubchem: 12560
iupac name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione @en
inchi: InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
inchikey: ULGZDMOVFRHVEP-RWJQBGPGSA-N
notation: ertmcne
broader: CHEMONTID_0000282
formula: C37H67NO13
in scheme: Conceptschema Chemische Stoffen

methidation
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3
alternative label: methidathion
inchikey: MEBQXILRKZHVCX-UHFFFAOYSA-N
cas number: 950-37-8
pubchem: 13709
in scheme: Conceptschema Chemische Stoffen
smiles: COC1=NN(C(=O)S1)CSP(=S)(OC)OC
broader: CHEMONTID_0004770
formula: C6H11N2O4PS3
notation: metdton

2,2',4,4'-tetrabroomdifenylether (bde47)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br
notation: PBDE47
alternative label: 2,2',4,4'-tetrabroomdifenylether
alternative label: bde 47
formula: C12H6Br4O
iupac name: 2,4-dibromo-1-(2,4-dibromophenoxy)benzene @en
pubchem: 95170
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H
inchikey: XYBSIYMGXVUVGY-UHFFFAOYSA-N
cas number: 5436-43-1

methiocarb
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CC1=CC(=CC(=C1SC)C)OC(=O)NC
broader: CHEMONTID_0004742
inchikey: YFBPRJGDJKVWAH-UHFFFAOYSA-N
cas number: 2032-65-7
cas number: 716-16-5
iupac name: (3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 16248
formula: C11H15NO2S
inchi: InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
notation: metocb

sulfamethoxazol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
notation: sulfmtoazl
in scheme: Conceptschema Chemische Stoffen
formula: C10H11N3O3S
smiles: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
broader: CHEMONTID_0001925
inchikey: JLKIGFTWXXRPMT-UHFFFAOYSA-N
pubchem: 5329
iupac name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide @en
cas number: 723-46-6
cas number: 129378-89-8

1-isopropyl-4-methyl-benzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4939-75-7
cas number: 99-87-6
inchikey: HFPZCAJZSCWRBC-UHFFFAOYSA-N
smiles: CC1=CC=C(C=C1)C(C)C
broader: CHEMONTID_0000051
in scheme: Conceptschema Chemische Stoffen
alternative label: para-isopropyltolueen
alternative label: p-isopropyltolueen
inchi: InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
formula: C10H14
pubchem: 7463
notation: 1iC3y4C1yBen
iupac name: 1-methyl-4-propan-2-ylbenzene @en

oxadiazon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: CHNUNORXWHYHNE-UHFFFAOYSA-N
formula: C15H18Cl2N2O3
notation: OaDazn
pubchem: 29732
iupac name: 5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564
cas number: 19666-30-9

2,6-dimethylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 576-26-1
cas number: 25134-01-4
cas number: 50356-22-4
cas number: 28449-96-9
cas number: 1300-71-6
pubchem: 11335
formula: C8H10O
inchi: InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
smiles: CC1=C(C(=CC=C1)C)O
broader: CHEMONTID_0001274
inchikey: NXXYKOUNUYWIHA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,6-Dimethylphenol @en
notation: 26DC1yFol

2,6-dichloorbenzamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 70852-53-8
cas number: 2008-58-4
smiles: C1=CC(=C(C(=C1)Cl)C(=O)N)Cl
inchikey: JHSPCUHPSIUQRB-UHFFFAOYSA-N
formula: C7H5Cl2NO
pubchem: 16183
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003098
notation: 26DClBenAd
iupac name: 2,6-Dichlorobenzamide @en
inchi: InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
alternative label: 2,6-dichlorobenzamide (bam)

chloralhydraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
alternative label: trichlooracetal-dehyde-hydraat
alternative label: trichlooracetaldehyde-hydraat
pubchem: 2707
notation: Clahdt
broader: CHEMONTID_0002608
inchikey: RNFNDJAIBTYOQL-UHFFFAOYSA-N
smiles: C(C(Cl)(Cl)Cl)(O)O
cas number: 302-17-0
cas number: 109128-19-0
iupac name: 2,2,2-Trichloroethane-1,1-diol @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
formula: C2H3Cl3O2

1-chloor-4-nitrobenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 7474
formula: C6H4ClNO2
cas number: 100-00-5
notation: 1Cl4NO2Ben
smiles: C1=CC(=CC=C1[N+](=O)[O-])Cl
broader: CHEMONTID_0000036
inchikey: CZGCEKJOLUNIFY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-Chloro-4-nitrobenzene @en
inchi: InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H

broommethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: Bromomethane @en
pubchem: 6323
inchi: InChI=1S/CH3Br/c1-2/h1H3
in scheme: Conceptschema Chemische Stoffen
notation: BrC1a
inchikey: GZUXJHMPEANEGY-UHFFFAOYSA-N
smiles: CBr
cas number: 74-83-9
broader: CHEMONTID_0004157
formula: CH3Br

2,3-dichloornitrobenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C6H3Cl2NO2
pubchem: 18555
in scheme: Conceptschema Chemische Stoffen
cas number: 3209-22-1
cas number: 27900-75-0
iupac name: 1,2-Dichloro-3-nitrobenzene @en
smiles: C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]
broader: CHEMONTID_0000036
inchikey: CMVQZRLQEOAYSW-UHFFFAOYSA-N
inchi: InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
notation: 23DClNO2Ben

3-chlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C6H6ClN
iupac name: 3-Chloroaniline @en
pubchem: 7932
notation: 3ClAn
inchikey: PNPCRKVUWYDDST-UHFFFAOYSA-N
broader: CHEMONTID_0000284
inchi: InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
alternative label: m-chlooraniline
cas number: 108-42-9
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=CC(=C1)Cl)N

metolachlor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: WVQBLGZPHOPPFO-UHFFFAOYSA-N
alternative label: metolachloor
smiles: CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C
inchi: InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3
in scheme: Conceptschema Chemische Stoffen
notation: metlCl
cas number: 63150-68-5
cas number: 55762-76-0
cas number: 82535-90-8
cas number: 94449-58-8
cas number: 51218-45-2
formula: C15H22ClNO2
pubchem: 4169
broader: CHEMONTID_0000285
iupac name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide @en

1,3,5-trichloorbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 7950
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
cas number: 108-70-3
cas number: 63697-19-8
formula: C6H3Cl3
iupac name: 1,3,5-Trichlorobenzene @en
smiles: C1=C(C=C(C=C1Cl)Cl)Cl
inchi: InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H
notation: 135TClBen
inchikey: XKEFYDZQGKAQCN-UHFFFAOYSA-N

3-chloor-4-methylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0003964
smiles: CC1=C(C=C(C=C1)N)Cl
in scheme: Conceptschema Chemische Stoffen
pubchem: 7255
inchikey: RQKFYFNZSHWXAW-UHFFFAOYSA-N
formula: C7H8ClN
inchi: InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
iupac name: 3-Chloro-4-methylaniline @en
cas number: 95-74-9
notation: 3Cl4C1yAn

trans-chloorfenvinfos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: bClfvfs
inchi: InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+
cas number: 18708-86-6
inchikey: FSAVDKDHPDSCTO-XYOKQWHBSA-N
pubchem: 5377791
formula: C12H14Cl3O4P
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
iupac name: [(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate @en
alternative label: beta-chloorfenvinfos

benefin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: SMDHCQAYESWHAE-UHFFFAOYSA-N
smiles: CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
in scheme: Conceptschema Chemische Stoffen
iupac name: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline @en
notation: benfn
pubchem: 2319
broader: CHEMONTID_0003968
cas number: 1861-40-1
formula: C13H16F3N3O4
inchi: InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3

2,3,5-trichloorfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 933-78-8
iupac name: 2,3,5-TRICHLOROPHENOL @en
inchikey: WWGQHTJIFOQAOC-UHFFFAOYSA-N
notation: 235TClFol
in scheme: Conceptschema Chemische Stoffen
formula: C6H3Cl3O
inchi: InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
smiles: C1=C(C=C(C(=C1O)Cl)Cl)Cl
pubchem: 13619
broader: CHEMONTID_0002771

monuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CN(C)C(=O)NC1=CC=C(C=C1)Cl
in scheme: Conceptschema Chemische Stoffen
notation: monrn
inchikey: BMLIZLVNXIYGCK-UHFFFAOYSA-N
iupac name: 3-(4-Chlorophenyl)-1,1-dimethylurea @en
inchi: InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
broader: CHEMONTID_0001935
cas number: 150-68-5
pubchem: 8800
formula: C9H11ClN2O

terbutylazine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 5915-41-3
cas number: 63026-57-3
inchikey: FZXISNSWEXTPMF-UHFFFAOYSA-N
inchi: InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)
iupac name: N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine @en
alternative label: terbuthylazine
smiles: CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C
in scheme: Conceptschema Chemische Stoffen
formula: C9H16ClN5
broader: CHEMONTID_0001693
pubchem: 22206
notation: terC4yazne

parathion-methyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C8H10NO5PS
cas number: 63653-66-7
cas number: 298-00-0
cas number: 37359-35-6
iupac name: dimethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane @en
notation: C1yprton
in scheme: Conceptschema Chemische Stoffen
alternative label: methylparathion
inchikey: RLBIQVVOMOPOHC-UHFFFAOYSA-N
pubchem: 4130
smiles: COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
inchi: InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
broader: CHEMONTID_0004748

naproxen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 26159-31-9
cas number: 22204-53-1
cas number: 23981-80-8
inchikey: CMWTZPSULFXXJA-UHFFFAOYSA-N
notation: napxn
in scheme: Conceptschema Chemische Stoffen
pubchem: 1302
smiles: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
broader: CHEMONTID_0000023
inchi: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
formula: C14H14O3
iupac name: 2-(6-methoxynaphthalen-2-yl)propanoic acid @en

perfluoroctaansulfonzuur (pfos)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 74483
cas number: 132324-11-9
cas number: 1763-23-1
inchi: InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)
alternative label: perfluor-n-octaansulfonzuur
alternative label: perfluoroctaansul-fonzuur en zijn derivaten (pfos)
alternative label: perfluoroctaansulfonzuur (lineair)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid @en
broader: CHEMONTID_0003960
notation: PFOS
formula: C8HF17O3S
in scheme: Conceptschema Chemische Stoffen
inchikey: YFSUTJLHUFNCNZ-UHFFFAOYSA-N

titaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 37246-36-9
cas number: 37301-57-8
cas number: 37246-34-7
cas number: 14067-04-0
cas number: 57854-37-2
cas number: 7440-32-6
cas number: 11147-83-4
cas number: 195161-81-0
cas number: 37333-92-9
cas number: 54319-51-6
cas number: 12718-64-8
cas number: 67796-94-5
cas number: 53549-90-9
cas number: 182260-48-6
cas number: 37269-05-9
cas number: 12794-00-2
cas number: 37261-68-0
cas number: 62650-70-8
cas number: 37246-37-0
inchi: InChI=1S/Ti
notation: Ti
inchikey: RTAQQCXQSZGOHL-UHFFFAOYSA-N
alternative label: titanium
pubchem: 23963
formula: Ti
in scheme: Conceptschema Chemische Stoffen
smiles: [Ti]
broader: CHEMONTID_0000426
iupac name: TITANIUM @en

dieldrin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: dieldn
cas number: 60-57-1
cas number: 128-10-9
inchikey: DFBKLUNHFCTMDC-PICURKEMSA-N
pubchem: 969491
iupac name: (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene @en
broader: CHEMONTID_0001549
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11-
formula: C12H8Cl6O

atenolol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
cas number: 29122-68-7
cas number: 60966-51-0
notation: atnll
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
inchikey: METKIMKYRPQLGS-UHFFFAOYSA-N
broader: CHEMONTID_0002363
pubchem: 2249
formula: C14H22N2O3
iupac name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide @en

1,1,2,2-tetrachloorethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: QPFMBZIOSGYJDE-UHFFFAOYSA-N
smiles: C(C(Cl)Cl)(Cl)Cl
formula: C2H2Cl4
notation: 1122T4ClC2a
inchi: InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H
cas number: 79-34-5
pubchem: 6591
broader: CHEMONTID_0001516
iupac name: 1,1,2,2-Tetrachloroethane @en
in scheme: Conceptschema Chemische Stoffen

bisfenol-A
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: IISBACLAFKSPIT-UHFFFAOYSA-N
formula: C15H16O2
cas number: 80-05-7
cas number: 28106-82-3
cas number: 27100-33-0
cas number: 137885-53-1
cas number: 27360-89-0
cas number: 37808-08-5
pubchem: 6623
inchi: InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
alternative label: bisfenol a
alternative label: bisfenol-a
iupac name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol @en
broader: CHEMONTID_0000143
smiles: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
notation: bisFolA

clopyralid
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C6H3Cl2NO2
inchikey: HUBANNPOLNYSAD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 1702-17-6
pubchem: 15553
inchi: InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
broader: CHEMONTID_0002414
smiles: C1=CC(=NC(=C1Cl)C(=O)O)Cl
notation: cloprld
iupac name: 3,6-Dichloropyridine-2-carboxylic acid @en

2-chloor-4-methylaniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Chloro-4-methylaniline @en
cas number: 615-65-6
pubchem: 12007
broader: CHEMONTID_0003964
inchikey: XGYLSRFSXKAYCR-UHFFFAOYSA-N
notation: 2Cl4C1yAn
formula: C7H8ClN
alternative label: 2-chloor-para-toluïdine
smiles: CC1=CC(=C(C=C1)N)Cl

ioxynil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001530
cas number: 1689-83-4
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-Hydroxy-3,5-diiodobenzonitrile @en
inchi: InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
formula: C7H3I2NO
pubchem: 15530
inchikey: NRXQIUSYPAHGNM-UHFFFAOYSA-N
smiles: C1=C(C=C(C(=C1I)O)I)C#N
notation: iOxnl

praeseodyum
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/Pr
smiles: [Pr]
cas number: 110123-50-7
cas number: 7440-10-0
cas number: 24562-03-6
inchikey: PUDIUYLPXJFUGB-UHFFFAOYSA-N
pubchem: 23942
formula: Pr
broader: CHEMONTID_0000429
iupac name: praseodymium @en
notation: Pr
in scheme: Conceptschema Chemische Stoffen

(2-methyl-4-chloorfenoxy)azijnzuur (mcpa)
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CC1=C(C=CC(=C1)Cl)OCC(=O)O
alternative label: 2-methyl-4-chloorfenoxyazijnzuur
alternative label: mcpa
alternative label: (4-chloor-2methylfenoxy)azijnzuur
cas number: 94-74-6
cas number: 50926-55-1
cas number: 11111-13-0
cas number: 11111-14-1
in scheme: Conceptschema Chemische Stoffen
formula: C9H9ClO3
pubchem: 7204
broader: CHEMONTID_0004525
inchikey: WHKUVVPPKQRRBV-UHFFFAOYSA-N
iupac name: 2-(4-chloro-2-methylphenoxy)acetic acid @en
notation: MCPA
inchi: InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

3,4-dichloornitrobenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
pubchem: 7443
broader: CHEMONTID_0000036
cas number: 99-54-7
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2-Dichloro-4-nitrobenzene @en
inchikey: NTBYINQTYWZXLH-UHFFFAOYSA-N
formula: C6H3Cl2NO2
smiles: C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
notation: 34DClNO2Ben

carbaryl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3197-92-0
cas number: 11130-47-5
cas number: 52001-89-5
cas number: 11095-11-7
cas number: 63-25-2
cas number: 51274-03-4
cas number: 27636-33-5
in scheme: Conceptschema Chemische Stoffen
inchikey: CVXBEEMKQHEXEN-UHFFFAOYSA-N
pubchem: 6129
formula: C12H11NO2
iupac name: naphthalen-1-yl N-methylcarbamate @en
broader: CHEMONTID_0000023
notation: carbrl
smiles: CNC(=O)OC1=CC=CC2=CC=CC=C21
inchi: InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)

di-p-tolueensulfonaat-ethyleenglycol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C16H18O6S2
notation: DpTolsfnC2ye
broader: CHEMONTID_0004309
pubchem: 228289
inchikey: LZIPBJBQQPZLOR-UHFFFAOYSA-N
cas number: 6315-52-2
iupac name: 2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3

tricyclazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: DQJCHOQLCLEDLL-UHFFFAOYSA-N
pubchem: 39040
iupac name: 8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole @en
smiles: CC1=C2C(=CC=C1)SC3=NN=CN23
formula: C9H7N3S
in scheme: Conceptschema Chemische Stoffen
cas number: 41814-78-2
notation: Tcczl
broader: CHEMONTID_0004201
inchi: InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3

dodecylisoquinolinium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: MSJLMQTXVKCUCD-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]
formula: C21H32BrN
pubchem: 7132
iupac name: 2-dodecylisoquinolin-2-ium bromide @en
broader: CHEMONTID_0002566
cas number: 93-23-2

2,3,3',4',6-pentachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 38380-03-9
iupac name: 1,2,4-trichloro-3-(3,4-dichlorophenyl)benzene @en
broader: CHEMONTID_0003030
inchi: InChI=1S/C12H5Cl5/c13-7-2-1-6(5-10(7)16)11-8(14)3-4-9(15)12(11)17/h1-5H
in scheme: Conceptschema Chemische Stoffen
notation: PCB110
formula: C12H5Cl5
pubchem: 38015
inchikey: ARXHIJMGSIYYRZ-UHFFFAOYSA-N

ranitidine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: rantdne
formula: C13H23ClN4O3S
iupac name: ["(E)-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine hydrochloride", "N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine hydrochloride"] @en
cas number: 66357-59-3
cas number: 66357-35-5
cas number: 71130-06-8
broader: CHEMONTID_0003899
pubchem: 3033332
inchikey: GGWBHVILAJZWKJ-KJEVSKRMSA-N
inchi: InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;
smiles: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.Cl
in scheme: Conceptschema Chemische Stoffen

scandium 46
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: SIXSYDAISGFNSX-OUBTZVSYSA-N
cas number: 13967-63-0
in scheme: Conceptschema Chemische Stoffen
iupac name: scandium-46 @en
pubchem: 107673
formula: Sc
notation: Sc46
inchi: InChI=1S/Sc/i1+1
broader: CHEMONTID_0000426
smiles: [Sc]

bis(2-chloorisopropyl)ether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001516
notation: bis2CliC3yEt
smiles: CC(C)(OC(C)(C)Cl)Cl
cas number: 39638-32-9
inchi: InChI=1S/C6H12Cl2O/c1-5(2,7)9-6(3,4)8/h1-4H3
inchikey: BULHJTXRZFEUDQ-UHFFFAOYSA-N
iupac name: 2-chloro-2-(2-chloropropan-2-yloxy)propane @en
formula: C6H12Cl2O
pubchem: 38307

(-)-11-nor-9-carboxy-delta-9-tetrahydrocannabinol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid @en
pubchem: 108207
notation: m11n9cbxd9TH
inchikey: YOVRGSHRZRJTLZ-HZPDHXFCSA-N
cas number: 56354-06-4
broader: CHEMONTID_0003522
inchi: InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1
in scheme: Conceptschema Chemische Stoffen
formula: C21H28O4

butaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 68475-59-2
cas number: 68527-17-3
cas number: 68476-42-6
cas number: 106-97-8
cas number: 68551-21-3
cas number: 68514-31-8
broader: CHEMONTID_0002500
inchikey: IJDNQMDRQITEOD-UHFFFAOYSA-N
notation: C4a
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
formula: C4H10
smiles: CCCC
iupac name: BUTANE @en
pubchem: 7843

1,2-dihydro-2,2,4-trimethylquinoline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 8981
cas number: 55069-42-6
cas number: 26780-96-1
cas number: 52038-43-4
cas number: 147-47-7
formula: C12H15N
in scheme: Conceptschema Chemische Stoffen
notation: 12DH224TC1yq
inchi: InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3
broader: CHEMONTID_0001716
smiles: CC1=CC(NC2=CC=CC=C12)(C)C
iupac name: 2,2,4-trimethyl-1H-quinoline @en
inchikey: ZNRLMGFXSPUZNR-UHFFFAOYSA-N

alfa-hydroxytolueen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000033
cas number: 185532-71-2
cas number: 1336-27-2
cas number: 100-51-6
inchi: InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
in scheme: Conceptschema Chemische Stoffen
inchikey: WVDDGKGOMKODPV-UHFFFAOYSA-N
notation: aHOxTol
pubchem: 244
formula: C7H8O
smiles: C1=CC=C(C=C1)CO
iupac name: phenylmethanol @en

4-cumylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 28261-59-8
cas number: 599-64-4
broader: CHEMONTID_0000369
formula: C15H16O
in scheme: Conceptschema Chemische Stoffen
notation: 4cumFol
inchi: InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
pubchem: 11742
smiles: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O
inchikey: QBDSZLJBMIMQRS-UHFFFAOYSA-N
iupac name: 4-(2-phenylpropan-2-yl)phenol @en

meptyldinocap
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: (2,4-dinitro-6-octylphenyl) (E)-but-2-enoate @en
cas number: 49794-90-3
cas number: 131-72-6
smiles: CCCCCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC
pubchem: 6436020
formula: C18H24N2O6
inchikey: PMSYHBINVYHTNN-ONNFQVAWSA-N
notation: meptdncp
inchi: InChI=1S/C18H24N2O6/c1-3-5-6-7-8-9-11-14-12-15(19(22)23)13-16(20(24)25)18(14)26-17(21)10-4-2/h4,10,12-13H,3,5-9,11H2,1-2H3/b10-4+
broader: CHEMONTID_0002319

diethylstilboestrol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 8030-34-0
cas number: 8049-42-1
cas number: 56-53-1
cas number: 22610-99-7
cas number: 8053-00-7
cas number: 6898-97-1
cas number: 8026-45-7
cas number: 8028-09-9
inchikey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: DC2ysbsl
iupac name: ['4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol', '4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol'] @en
smiles: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
pubchem: 448537
inchi: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
broader: CHEMONTID_0000253
formula: C18H20O2

2-methyl-2-thiazoline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: JUIQOABNSLTJSW-UHFFFAOYSA-N
iupac name: 2-methyl-4,5-dihydro-1,3-thiazole @en
smiles: CC1=NCCS1
cas number: 2346-00-1
broader: CHEMONTID_0000229
inchi: InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3
pubchem: 16867
notation: 2C1y2tazlne
formula: C4H7NS

propyleenglycolmonoethyletheracetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: PGEEA
smiles: CCOCC(C)OC(=O)C
cas number: 54839-24-6
broader: CHEMONTID_0001238
pubchem: 171378
in scheme: Conceptschema Chemische Stoffen
formula: C7H14O3
iupac name: 1-ethoxypropan-2-yl acetate @en
inchikey: LIPRQQHINVWJCH-UHFFFAOYSA-N
inchi: InChI=1S/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3

gamma-linoleenzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C18H30O2
inchikey: VZCCETWTMQHEPK-QNEBEIHSSA-N
pubchem: 5280933
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-
iupac name: (6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid @en
cas number: 506-26-3
notation: glnlzr
smiles: CCCCCC=CCC=CCC=CCCCCC(=O)O
broader: CHEMONTID_0000504

mefosfolan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3
broader: CHEMONTID_0000408
cas number: 950-10-7
cas number: 12643-22-0
cas number: 947-33-1
smiles: CCOP(=O)(N=C1SCC(S1)C)OCC
in scheme: Conceptschema Chemische Stoffen
notation: meffln
inchikey: LTQSAUHRSCMPLD-UHFFFAOYSA-N
pubchem: 13707
iupac name: N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine @en
formula: C8H16NO3PS2

2,3,5-trimethylpyrazine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000067
smiles: CC1=CN=C(C(=N1)C)C
iupac name: 2,3,5-Trimethylpyrazine @en
inchi: InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
cas number: 124765-77-1
cas number: 14667-55-1
formula: C7H10N2
notation: 235TC1yprzne
inchikey: IAEGWXHKWJGQAZ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 26808

amantadine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: C1C2CC3CC1CC(C2)(C3)N
cas number: 768-94-5
iupac name: adamantan-1-amine @en
broader: CHEMONTID_0000469
inchikey: DKNWSYNQZKUICI-UHFFFAOYSA-N
formula: C10H17N
notation: amtdne
pubchem: 2130
inchi: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
in scheme: Conceptschema Chemische Stoffen

chitosan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C56H103N9O39
broader: CHEMONTID_0000198
pubchem: 71853
cas number: 9012-76-4
cas number: 57285-05-9
notation: chitsn
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1
inchikey: FLASNYPZGWUPSU-SICDJOISSA-N
iupac name: methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate @en

N-methylperfluoroctaansulfonamido-azijnzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: QNDHIRFIMVNHBN-UHFFFAOYSA-N
notation: MePFOSAA
notation: NmeFOSAA
in scheme: Conceptschema Chemische Stoffen
cas number: 2355-31-9
broader: CHEMONTID_0003960
inchi: InChI=1S/C11H6F17NO4S/c1-29(2-3(30)31)34(32,33)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H2,1H3,(H,30,31)
pubchem: 22286931
formula: C11H6F17NO4S
iupac name: 2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]acetic acid @en

flurochloridon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C12H10Cl2F3NO
broader: CHEMONTID_0002336
notation: flurcrdn
in scheme: Conceptschema Chemische Stoffen
cas number: 61213-25-0
cas number: 89286-81-7
pubchem: 91677
iupac name: 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one @en
inchikey: OQZCSNDVOWYALR-UHFFFAOYSA-N

kaliumoleaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: Kolat
broader: CHEMONTID_0002949
inchikey: MLICVSDCCDDWMD-KVVVOXFISA-M
inchi: InChI=1S/C18H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;
smiles: CCCCCCCCC=CCCCCCCCC(=O)[O-].[K+]
cas number: 143-18-0
iupac name: potassium (Z)-octadec-9-enoate @en
pubchem: 6433168
formula: C18H33KO2
in scheme: Conceptschema Chemische Stoffen

perfluoroctaanzuur, kaliumzout
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C8H2F15KO2
pubchem: 3083763
cas number: 2395-00-8
iupac name: potassium; hydride; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid @en
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
inchikey: VRXISYRYNOUKHO-UHFFFAOYSA-N
notation: PFOA_K
inchi: InChI=1S/C8HF15O2.K.H/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;;/h(H,24,25);;/q;+1;-1

triethyleenglycol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 676-18-6
cas number: 121202-29-7
cas number: 118662-30-9
cas number: 112-27-6
inchikey: ZIBGPFATKBEMQZ-UHFFFAOYSA-N
iupac name: 2-[2-(2-hydroxyethoxy)ethoxy]ethanol @en
notation: TC2yegcl
formula: C6H14O4
broader: CHEMONTID_0003338
in scheme: Conceptschema Chemische Stoffen
smiles: C(COCCOCCO)O
pubchem: 8172
inchi: InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

strontium 85
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: strontium-85 @en
cas number: 13967-73-2
in scheme: Conceptschema Chemische Stoffen
formula: Sr
inchi: InChI=1S/Sr/i1-3
notation: Sr85
broader: CHEMONTID_0000428
pubchem: 5464271
smiles: [Sr]
inchikey: CIOAGBVUUVVLOB-OIOBTWANSA-N

tetraethylammonium bromide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004225
smiles: CC[N+](CC)(CC)CC.[Br-]
inchi: InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
formula: C8H20BrN
inchikey: HWCKGOZZJDHMNC-UHFFFAOYSA-M
notation: T4C2yeNHBr
pubchem: 6285
cas number: 65129-11-5
cas number: 71-91-0
cas number: 65129-07-9
in scheme: Conceptschema Chemische Stoffen
iupac name: tetraethylazanium bromide @en

hydroxycotinine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: XOKCJXZZNAUIQN-UHFFFAOYSA-N
cas number: 34834-67-8
cas number: 27323-64-4
cas number: 37096-14-3
cas number: 79581-34-3
inchi: InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3
pubchem: 414
notation: HOxctnne
smiles: CN1C(CC(C1=O)O)C2=CN=CC=C2
formula: C10H12N2O2
broader: CHEMONTID_0001975
iupac name: 3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one @en

dichloorbenzidine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 3033870
notation: DClbzdne
inchikey: LPDSNGAFAJYVKH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C12H10Cl2N2
iupac name: 4-(4-aminophenyl)-2,3-dichloroaniline @en
broader: CHEMONTID_0003955
smiles: C1=CC(=CC=C1C2=C(C(=C(C=C2)N)Cl)Cl)N
inchi: InChI=1S/C12H10Cl2N2/c13-11-9(5-6-10(16)12(11)14)7-1-3-8(15)4-2-7/h1-6H,15-16H2
cas number: 1331-47-1

3,3'-dimethylbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3
notation: 33DC1ybiFy
inchikey: GVEDOIATHPCYGS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000041
cas number: 612-75-9
smiles: CC1=CC(=CC=C1)C2=CC=CC(=C2)C
iupac name: 1-methyl-3-(3-methylphenyl)benzene @en
formula: C14H14
pubchem: 11931

n-heptadecylcyclohexaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CCCCCCCCCCCCCCCCCC1CCCCC1
in scheme: Conceptschema Chemische Stoffen
iupac name: HEPTADECYLCYCLOHEXANE @en
cas number: 19781-73-8
inchikey: VLHZQNGNJQYAIZ-UHFFFAOYSA-N
formula: C23H46
notation: nC17yccC6a
broader: CHEMONTID_0001016
pubchem: 29777

dimethipin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 55290-64-7
in scheme: Conceptschema Chemische Stoffen
inchikey: PHVNLLCAQHGNKU-UHFFFAOYSA-N
formula: C6H10O4S2
pubchem: 41385
smiles: CC1=C(S(=O)(=O)CCS1(=O)=O)C
inchi: InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3
iupac name: 2,3-dimethyl-5,6-dihydro-1,4-dithiine 1,1,4,4-tetraoxide @en
broader: CHEMONTID_0000505
notation: Dmtpn

benzo(a)fluorantheen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H
broader: CHEMONTID_0000018
formula: C20H12
in scheme: Conceptschema Chemische Stoffen
iupac name: pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene @en
notation: BaF
inchikey: OQDXASJSCOTNQS-UHFFFAOYSA-N
pubchem: 9146
cas number: 56832-73-6
cas number: 203-33-8

desoximetason
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 9793
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: desOxmtsn
cas number: 382-67-2
inchikey: VWVSBHGCDBMOOT-OKPPOTDYSA-N
iupac name: (9R,16R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one @en
formula: C22H29FO4
inchi: InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,18?,19?,20?,21?,22+/m1/s1

2,2',4,4'-tetrachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C12H6Cl4
cas number: 53469-21-9
cas number: 11104-29-3
cas number: 2437-79-8
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H
iupac name: 2,4-dichloro-1-(2,4-dichlorophenyl)benzene @en
broader: CHEMONTID_0003030
inchikey: QORAVNMWUNPXAO-UHFFFAOYSA-N
pubchem: 17097
notation: PCB47
smiles: C1=CC(=C(C=C1Cl)Cl)C2=C(C=C(C=C2)Cl)Cl

penicilline G
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
alternative label: penicilline g
alternative label: benzylpenicilline
notation: penclnG
pubchem: 5904
cas number: 61-33-6
inchikey: JGSARLDLIJGVTE-MBNYWOFBSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004830
formula: C16H18N2O4S
iupac name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid @en

2,2',4,6,6'-pentachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 56558-16-8
notation: PCB104
formula: C12H5Cl5
inchikey: MTCPZNVSDFCBBE-UHFFFAOYSA-N
pubchem: 91662
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H
iupac name: 1,3,5-trichloro-2-(2,6-dichlorophenyl)benzene @en

3-amino-2,5-dichloor-benzoezuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: HSSBORCLYSCBJR-UHFFFAOYSA-N
pubchem: 8630
smiles: C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl
broader: CHEMONTID_0002611
formula: C7H5Cl2NO2
iupac name: 3-Amino-2,5-dichlorobenzoic acid @en
notation: 3Ao25DClbzez
inchi: InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)
cas number: 133-90-4
in scheme: Conceptschema Chemische Stoffen

jotalaminezuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: jotlmnzr
broader: CHEMONTID_0004361
iupac name: sodium 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate @en
cas number: 1225-20-3
cas number: 15845-98-4
cas number: 2276-90-6
smiles: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.[Na+]
pubchem: 14663
in scheme: Conceptschema Chemische Stoffen
formula: C11H8I3N2NaO4
inchi: InChI=1S/C11H9I3N2O4.Na/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;/h1-2H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1
inchikey: WCIMWHNSWLLELS-UHFFFAOYSA-M

sulfachloropyridazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)
iupac name: 4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide @en
smiles: C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl
broader: CHEMONTID_0001925
notation: sulfClprdzne
formula: C10H9ClN4O2S
alternative label: sulfachloorpyridazine
pubchem: 6634
cas number: 80-32-0
inchikey: XOXHILFPRYWFOD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

2,2',3,4,6,6'-hexachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: PCB145
in scheme: Conceptschema Chemische Stoffen
pubchem: 93442
inchikey: JZFZCLFEPXCRCA-UHFFFAOYSA-N
inchi: InChI=1S/C12H4Cl6/c13-5-2-1-3-6(14)9(5)10-7(15)4-8(16)11(17)12(10)18/h1-4H
broader: CHEMONTID_0003030
formula: C12H4Cl6
iupac name: 1,2,3,5-tetrachloro-4-(2,6-dichlorophenyl)benzene @en
cas number: 74472-40-5

C.I. Solvent Orange 7
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
alternative label: c.i. solvent orange 7
in scheme: Conceptschema Chemische Stoffen
inchikey: YPXOPAFVVHXQDP-ZZEZOPTASA-N
iupac name: ['1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one', '(1Z)-1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one'] @en
notation: cisoe7
cas number: 3118-97-6
pubchem: 5809936
formula: C18H16N2O
inchi: InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,19H,1-2H3/b20-18-
broader: CHEMONTID_0000023

gentamycine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-[4,6-diamino-3-[3-amino-6-(1-methylaminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol @en
formula: C21H43N5O7
inchi: InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3
pubchem: 3467
notation: gentmcne
cas number: 1403-66-3
broader: CHEMONTID_0001675
inchikey: CEAZRRDELHUEMR-UHFFFAOYSA-N

methylethylnitrosamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3
cas number: 10595-95-6
pubchem: 25418
iupac name: N-ethyl-N-methylnitrous amide @en
inchikey: RTDCJKARQCRONF-UHFFFAOYSA-N
formula: C3H8N2O
broader: CHEMONTID_0004777
in scheme: Conceptschema Chemische Stoffen
notation: C1yC2yNOAe
smiles: CCN(C)N=O

2,3,4-trichloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H
inchikey: IUYHQGMDSZOPDZ-UHFFFAOYSA-N
iupac name: 1,2,3-trichloro-4-phenylbenzene @en
pubchem: 41541
formula: C12H7Cl3
smiles: C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl
cas number: 25323-68-6
cas number: 55702-46-0
notation: PCB21
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030

nonabroomdifenylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 139749-52-3
cas number: 66169-95-7
cas number: 63936-56-1
cas number: 68928-79-0
cas number: 64589-00-0
broader: CHEMONTID_0001845
iupac name: 1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene @en
inchi: InChI=1S/C12HBr9O/c13-2-1-3(5(15)6(16)4(2)14)22-12-10(20)8(18)7(17)9(19)11(12)21/h1H
in scheme: Conceptschema Chemische Stoffen
formula: C12HBr9O
inchikey: CYRHBNRLQMLULE-UHFFFAOYSA-N
pubchem: 45472

haloxyfop-methyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
in scheme: Conceptschema Chemische Stoffen
inchikey: MFSWTRQUCLNFOM-UHFFFAOYSA-N
cas number: 86510-80-7
cas number: 114180-25-5
cas number: 69806-40-2
notation: halOxfC1y
broader: CHEMONTID_0004677
pubchem: 50896
formula: C16H13ClF3NO4

arseen (vijfwaardig)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 17428-41-0
notation: AsV
formula: As+5
smiles: [As+5]
inchi: InChI=1S/As/q+5
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000431
iupac name: arsenic(+5) cation @en
pubchem: 104737
inchikey: HAYXDMNJJFVXCI-UHFFFAOYSA-N

2-fenylisopropanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002811
inchikey: BDCFWIDZNLCTMF-UHFFFAOYSA-N
pubchem: 12053
notation: 2FyiC3ol
iupac name: 2-Phenylpropan-2-ol @en
cas number: 617-94-7
smiles: CC(C)(C1=CC=CC=C1)O
inchi: InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
in scheme: Conceptschema Chemische Stoffen
formula: C9H12O

lawrencium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: CNQCVBJFEGMYDW-UHFFFAOYSA-N
smiles: [Lr]
cas number: 22537-19-5
iupac name: LAWRENCIUM @en
pubchem: 31192
in scheme: Conceptschema Chemische Stoffen
notation: Lr
broader: CHEMONTID_0000430
formula: Lr
inchi: InChI=1S/Lr

iridium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7439-88-5
cas number: 22542-08-1
notation: Ir
broader: CHEMONTID_0000426
iupac name: IRIDIUM @en
smiles: [Ir]
inchi: InChI=1S/Ir
pubchem: 23924
inchikey: GKOZUEZYRPOHIO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: Ir

4-methylcarbazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 4-Methyl-9H-carbazole @en
pubchem: 19591
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C13H11N/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8,14H,1H3
smiles: CC1=C2C3=CC=CC=C3NC2=CC=C1
broader: CHEMONTID_0000210
cas number: 3770-48-7
notation: 4C1ycarbzl
inchikey: GNPUIRFDBYALRI-UHFFFAOYSA-N
formula: C13H11N

sandacanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CCC(=CCC1CC=C(C1(C)C)C)CO
iupac name: (E)-2-ethyl-4-(2,2,3-trimethyl-1-cyclopent-3-enyl)but-2-en-1-ol @en
pubchem: 6438196
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001563
notation: ETCB
inchikey: KHQDWCKZXLWDNM-KPKJPENVSA-N
cas number: 28219-61-6
inchi: InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+
formula: C14H24O

thorium 228
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: Th228
in scheme: Conceptschema Chemische Stoffen
pubchem: 61724
formula: Th
inchikey: ZSLUVFAKFWKJRC-AHCXROLUSA-N
broader: CHEMONTID_0000430
iupac name: thorium-228 @en
smiles: [Th]
cas number: 14274-82-9
inchi: InChI=1S/Th/i1-4

tellurium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 6327182
cas number: 137322-20-4
cas number: 13494-80-9
formula: Te
broader: CHEMONTID_0000431
notation: Te
inchikey: PORWMNRCUJJQNO-UHFFFAOYSA-N
iupac name: TELLURIUM @en
smiles: [Te]
inchi: InChI=1S/Te
in scheme: Conceptschema Chemische Stoffen

triadimefon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one @en
cas number: 93779-51-2
cas number: 43121-43-3
inchikey: WURBVZBTWMNKQT-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: Tadmfn
inchi: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
formula: C14H16ClN3O2
broader: CHEMONTID_0002341
pubchem: 39385

1,5-naftaleendisulfonzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: XTEGVFVZDVNBPF-UHFFFAOYSA-N
broader: CHEMONTID_0003600
inchi: InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
notation: 15NafDsfzr
iupac name: naphthalene-1,5-disulfonic acid @en
formula: C10H8O6S2
cas number: 81-04-9
cas number: 46874-44-6
pubchem: 6666

cerium 139
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: [Ce]
iupac name: cerium-139 @en
cas number: 13982-30-4
notation: Ce139
formula: Ce
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
inchikey: GWXLDORMOJMVQZ-BJUDXGSMSA-N
inchi: InChI=1S/Ce/i1-1
pubchem: 166969

quizalofop-p-ethyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: OSUHJPCHFDQAIT-GFCCVEGCSA-N
iupac name: ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate @en
formula: C19H17ClN2O4
cas number: 100646-51-3
alternative label: quizalofop-P-ethyl
pubchem: 1617113
broader: CHEMONTID_0004677
in scheme: Conceptschema Chemische Stoffen
notation: quizlfPC2y
inchi: InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1

isopropylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001238
inchi: InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
notation: iC3yactt
inchikey: JMMWKPVZQRWMSS-UHFFFAOYSA-N
smiles: CC(C)OC(=O)C
formula: C5H10O2
pubchem: 7915
cas number: 108-21-4
in scheme: Conceptschema Chemische Stoffen
iupac name: propan-2-yl acetate @en

propranolol-hydrochloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 62882
broader: CHEMONTID_0000023
iupac name: 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride @en
alternative label: propanolol, waterstofchloride
formula: C16H22ClNO2
notation: propnllHCL
inchikey: ZMRUPTIKESYGQW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 318-98-9
inchi: InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H
smiles: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl

cis-11,14-eicosadieenzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 5598-38-9
pubchem: 6439848
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-
smiles: CCCCCC=CCC=CCCCCCCCCCC(=O)O
notation: c1114C20aDzr
inchikey: XSXIVVZCUAHUJO-HZJYTTRNSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002949
formula: C20H36O2
iupac name: (11Z,14Z)-icosa-11,14-dienoic acid @en

ethylcrotonaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: C2yctnt
pubchem: 5354263
inchikey: ZFDIRQKJPRINOQ-HYXAFXHYSA-N
broader: CHEMONTID_0000324
formula: C6H10O2
cas number: 10544-63-5
smiles: CCOC(=O)C=CC
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-
iupac name: ethyl (Z)-but-2-enoate @en

2-propyl-2-heptenal
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCCCC=C(CCC)C=O
inchikey: GADNZGQWPNTMCH-NTMALXAHSA-N
iupac name: (Z)-2-propylhept-2-enal @en
broader: CHEMONTID_0002229
cas number: 34880-43-8
notation: 2C3y2C7eal
in scheme: Conceptschema Chemische Stoffen
formula: C10H18O
inchi: InChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3/b10-8-
pubchem: 6386353

chloranil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: UGNWTBMOAKPKBL-UHFFFAOYSA-N
notation: chloranl
formula: C6Cl4O2
pubchem: 8371
cas number: 118-75-2
cas number: 142655-99-0
broader: CHEMONTID_0002494
inchi: InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
iupac name: 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione @en
smiles: C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl

benzoylprop-ethyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 33878-50-1
cas number: 22212-55-1
cas number: 38561-59-0
cas number: 20453-96-7
formula: C18H17Cl2NO3
inchikey: SLCGUGMPSUYJAY-UHFFFAOYSA-N
broader: CHEMONTID_0004713
inchi: InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
iupac name: ethyl 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoate @en
notation: benzyppC2y
in scheme: Conceptschema Chemische Stoffen
pubchem: 31068

pentobarbital-natrium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 10579-81-4
cas number: 57-33-0
cas number: 23714-57-0
cas number: 8023-11-8
cas number: 8050-99-5
inchi: InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1
broader: CHEMONTID_0000292
iupac name: ['sodium 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate', 'sodium 5-ethyl-5-pentan-2-ylpyrimidin-3-ide-2,4,6-trione', 'sodium 5-ethyl-2,6-dioxo-5-pentan-2-ylpyrimidin-4-olate'] @en
pubchem: 5982
in scheme: Conceptschema Chemische Stoffen
smiles: CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]
inchikey: QGMRQYFBGABWDR-UHFFFAOYSA-M
notation: pentbbtNa
formula: C11H17N2NaO3

aminofenazon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 4-dimethylamino-1,5-dimethyl-2-phenylpyrazol-3-one @en
inchi: InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
cas number: 144574-10-7
cas number: 58-15-1
inchikey: RMMXTBMQSGEXHJ-UHFFFAOYSA-N
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C
formula: C13H17N3O
notation: Aofnzn
pubchem: 6009

hexafluor-1,3-butadieen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10
in scheme: Conceptschema Chemische Stoffen
pubchem: 69636
cas number: 685-63-2
broader: CHEMONTID_0002861
iupac name: 1,1,2,3,4,4-Hexafluorobuta-1,3-diene @en
smiles: C(=C(F)F)(C(=C(F)F)F)F
notation: HxF13btDen
formula: C4F6
inchikey: LGPPATCNSOSOQH-UHFFFAOYSA-N

1-eicosanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 1C20ol
broader: CHEMONTID_0002951
formula: C20H42O
inchikey: BTFJIXJJCSYFAL-UHFFFAOYSA-N
cas number: 28679-05-2
cas number: 629-96-9
pubchem: 12404
smiles: CCCCCCCCCCCCCCCCCCCCO
in scheme: Conceptschema Chemische Stoffen
iupac name: Icosan-1-ol @en

technetium 96
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 14808-44-7
smiles: [Tc]
broader: CHEMONTID_0000426
formula: Tc
pubchem: 167171
inchi: InChI=1S/Tc/i1-2
iupac name: technetium-96 @en
in scheme: Conceptschema Chemische Stoffen
inchikey: GKLVYJBZJHMRIY-YPZZEJLDSA-N
notation: Tc96

erbium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: Er
pubchem: 23980
smiles: [Er]
inchi: InChI=1S/Er
broader: CHEMONTID_0000429
inchikey: UYAHIZSMUZPPFV-UHFFFAOYSA-N
cas number: 7440-52-0
cas number: 110424-79-8
formula: Er
iupac name: ERBIUM @en
in scheme: Conceptschema Chemische Stoffen

lood 211
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: Pb
cas number: 15816-77-0
notation: Pb211
inchikey: WABPQHHGFIMREM-RNFDNDRNSA-N
iupac name: lead-211 @en
pubchem: 6337094
in scheme: Conceptschema Chemische Stoffen
smiles: [Pb]
broader: CHEMONTID_0000427
inchi: InChI=1S/Pb/i1+4

2,3-dinitrotolueen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: 23DNO2Tol
inchikey: DYSXLQBUUOPLBB-UHFFFAOYSA-N
cas number: 602-01-7
iupac name: 1-Methyl-2,3-dinitrobenzene @en
inchi: InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3
broader: CHEMONTID_0003969
smiles: CC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-]
pubchem: 11761
formula: C7H6N2O4

moxidectin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 119719-24-3
cas number: 113507-06-5
broader: CHEMONTID_0002902
in scheme: Conceptschema Chemische Stoffen
iupac name: (1R,4S,4'E,5'S,6R,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one @en
notation: moxdtn
inchikey: YZBLFMPOMVTDJY-BFPKLJSTSA-N
formula: C37H53NO8
pubchem: 9571036
inchi: InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33?,34+,36-,37+/m0/s1

1,3-diaminobenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: WZCQRUWWHSTZEM-UHFFFAOYSA-N
smiles: C1=CC(=CC(=C1)N)N
notation: 13DAoBen
pubchem: 7935
formula: C6H8N2
cas number: 108-45-2
broader: CHEMONTID_0000284
iupac name: benzene-1,3-diamine @en
inchi: InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
in scheme: Conceptschema Chemische Stoffen

holmium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7440-60-0
cas number: 24490-89-9
cas number: 110444-52-5
notation: Ho
pubchem: 23988
broader: CHEMONTID_0000429
formula: Ho
inchi: InChI=1S/Ho
inchikey: KJZYNXUDTRRSPN-UHFFFAOYSA-N
iupac name: HOLMIUM @en
smiles: [Ho]
in scheme: Conceptschema Chemische Stoffen

koolstof 14
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/CH4/h1H4/i1+2
iupac name: Carbane-14 @en
smiles: C
pubchem: 26873
formula: CH4
broader: CHEMONTID_0002500
inchikey: VNWKTOKETHGBQD-NJFSPNSNSA-N
notation: C14
cas number: 14762-75-5
in scheme: Conceptschema Chemische Stoffen

cesium 136
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: cesium-136 @en
cas number: 14234-29-8
broader: CHEMONTID_0000425
pubchem: 6335316
inchikey: TVFDJXOCXUVLDH-AKLPVKDBSA-N
inchi: InChI=1S/Cs/i1+3
notation: Cs136
formula: Cs
smiles: [Cs]
in scheme: Conceptschema Chemische Stoffen

warfarin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 81-81-2
cas number: 56573-89-8
cas number: 5543-56-6
cas number: 5543-57-7
inchi: InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,22H,11H2,1H3
pubchem: 6691
inchikey: QTXVAVXCBMYBJW-UHFFFAOYSA-N
iupac name: 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001633
formula: C19H16O4
notation: warfrn

zuurstof18 water
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: oxidane @en
inchi: InChI=1S/H2O/h1H2
inchikey: XLYOFNOQVPJJNP-UHFFFAOYSA-N
smiles: O
pubchem: 962
broader: CHEMONTID_0000434
formula: H2O
cas number: 17778-80-2
cas number: 7732-18-5
cas number: 14314-42-2
cas number: 13670-17-2
cas number: 558440-22-5
notation: O18-H2O
in scheme: Conceptschema Chemische Stoffen

2-methyl-benzaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000321
pubchem: 10722
inchikey: BTFQKIATRPGRBS-UHFFFAOYSA-N
iupac name: 2-Methylbenzaldehyde @en
notation: 2C1yBenAh
cas number: 529-20-4
formula: C8H8O
smiles: CC1=CC=CC=C1C=O
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3

fenoprofen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: fenpfn
broader: CHEMONTID_0004155
inchikey: RDJGLLICXDHJDY-UHFFFAOYSA-N
smiles: CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O
pubchem: 3342
formula: C15H14O3
cas number: 31879-05-7
cas number: 29679-58-1
inchi: InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
iupac name: 2-[3-(phenoxy)phenyl]propanoic acid @en

cloxacilline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid @en
pubchem: 6098
formula: C19H18ClN3O5S
inchikey: LQOLIRLGBULYKD-JKIFEVAISA-N
cas number: 61-72-3
cas number: 50763-55-8
cas number: 8056-79-9
broader: CHEMONTID_0004830
in scheme: Conceptschema Chemische Stoffen
notation: cloxclne

2,5-dichloorfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
pubchem: 66
broader: CHEMONTID_0002564
notation: 25DClFol
iupac name: 2,5-dichlorophenol @en
cas number: 583-78-8
formula: C6H4Cl2O
smiles: C1=CC(=C(C=C1Cl)O)Cl
inchikey: RANCECPPZPIPNO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

bisoprolol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 66722-44-9
inchi: InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
notation: bispll
iupac name: 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol @en
formula: C18H31NO4
broader: CHEMONTID_0002542
pubchem: 2405
smiles: CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O
inchikey: VHYCDWMUTMEGQY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

2-methylhexaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 6999857
notation: 2C1yC6azr
broader: CHEMONTID_0003086
formula: C7H13O2-
cas number: 4536-23-6
inchi: InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1/t6-/m1/s1
iupac name: (2R)-2-methylhexanoate @en
smiles: CCCCC(C)C(=O)[O-]
in scheme: Conceptschema Chemische Stoffen
inchikey: CVKMFSAVYPAZTQ-ZCFIWIBFSA-M

natriumtripolyfosfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: YVBGRQLITPHVOP-UHFFFAOYSA-L
pubchem: 26118
formula: H3Na2O10P3
smiles: OP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-].[Na+].[Na+]
broader: CHEMONTID_0000656
cas number: 13573-18-7
in scheme: Conceptschema Chemische Stoffen
iupac name: disodium [hydroxy-(hydroxy-oxidophosphoryl)oxyphosphoryl] hydrogen phosphate @en
inchi: InChI=1S/2Na.H5O10P3/c;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2
notation: NaTplPO4

1,2,3,4,8-pentachloordibenzofuraan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 49923
formula: C12H3Cl5O
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,4,8-PENTACHLORODIBENZOFURAN @en
inchikey: ZCTNDJSCLPJCRA-UHFFFAOYSA-N
broader: CHEMONTID_0003029
notation: PCDF89
cas number: 67517-48-0
inchi: InChI=1S/C12H3Cl5O/c13-4-1-2-6-5(3-4)7-8(14)9(15)10(16)11(17)12(7)18-6/h1-3H

californium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: [Cf]
cas number: 7440-71-3
cas number: 22541-43-1
inchikey: HGLDOAKPQXAFKI-UHFFFAOYSA-N
inchi: InChI=1S/Cf
formula: Cf
notation: Cf
pubchem: 23997
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000430
iupac name: CALIFORNIUM @en

microsystine-LA
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: DIAQQISRBBDJIM-DRSCAGMXSA-N
formula: C46H67N7O12
inchi: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
iupac name: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid @en
in scheme: Conceptschema Chemische Stoffen
cas number: 96180-79-9
notation: MC-LA
broader: CHEMONTID_0002010
pubchem: 6437382

1,2-dibroomtetrafluorethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: KVBKAPANDHPRDG-UHFFFAOYSA-N
notation: halon2402
smiles: C(C(F)(F)Br)(F)(F)Br
cas number: 76199-55-8
cas number: 124-73-2
pubchem: 31301
iupac name: 1,2-Dibromo-1,1,2,2-tetrafluoroethane @en
broader: CHEMONTID_0001517
inchi: InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8
formula: C2Br2F4

1,6-dioxacyclododecaan-7,12-dion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: AXKZIDYFAMKWSA-UHFFFAOYSA-N
inchi: InChI=1S/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2
in scheme: Conceptschema Chemische Stoffen
pubchem: 13064
iupac name: 1,6-DIOXACYCLODODECANE-7,12-DIONE @en
cas number: 777-95-7
broader: CHEMONTID_0000147
smiles: C1CCC(=O)OCCCCOC(=O)C1
formula: C10H16O4
notation: 16DOxccC12a7

1-aminopropaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 68187-45-1
cas number: 68130-69-8
cas number: 68130-70-1
cas number: 68187-43-9
cas number: 42939-71-9
cas number: 68187-44-0
cas number: 107-10-8
notation: 1AoC3a
formula: C3H9N
smiles: CCCN
inchikey: WGYKZJWCGVVSQN-UHFFFAOYSA-N
pubchem: 7852
inchi: InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000469
iupac name: Propan-1-amine @en

difenoconazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 119446-68-3
inchikey: BQYJATMQXGBDHF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: Dfncnzl
iupac name: 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole @en
broader: CHEMONTID_0004155
pubchem: 86173
formula: C19H17Cl2N3O3

perfluor-3,5,7,9-tetraoxadecaanzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 57358057
in scheme: Conceptschema Chemische Stoffen
formula: C6HF11O6
inchi: InChI=1S/C6HF11O6/c7-2(8,1(18)19)20-4(12,13)22-6(16,17)23-5(14,15)21-3(9,10)11/h(H,18,19)
inchikey: RVMKCACFKFAJPS-UHFFFAOYSA-N
iupac name: 2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetic acid @en
cas number: 39492-90-5
notation: PFO4DA
broader: CHEMONTID_0003000

iridium 192
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 66373
notation: Ir192
in scheme: Conceptschema Chemische Stoffen
formula: Ir
broader: CHEMONTID_0000426
inchikey: GKOZUEZYRPOHIO-IGMARMGPSA-N
inchi: InChI=1S/Ir/i1+0
cas number: 14694-69-0
iupac name: iridium-192 @en
smiles: [Ir]

clindamycine, waterstofchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002205
pubchem: 441204
iupac name: (2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride @en
in scheme: Conceptschema Chemische Stoffen
inchikey: AUODDLQVRAJAJM-GQYOKNPUSA-N
formula: C18H34Cl2N2O5S
cas number: 21462-39-5

2,4-d butyl ester
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000417
pubchem: 7206
cas number: 94-80-4
iupac name: butyl 2-(2,4-dichlorophenoxy)acetate @en
in scheme: Conceptschema Chemische Stoffen
alternative label: 2,4-D butyl ester
inchikey: UQMRAFJOBWOFNS-UHFFFAOYSA-N
inchi: InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
smiles: CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
formula: C12H14Cl2O3
notation: 24DC4yEsr

lamotrigine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: lamtgne
broader: CHEMONTID_0002564
smiles: C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N
cas number: 84057-84-1
iupac name: 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine @en
pubchem: 3878
formula: C9H7Cl2N5
inchikey: PYZRQGJRPPTADH-UHFFFAOYSA-N
inchi: InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
in scheme: Conceptschema Chemische Stoffen

2-nitro-p-cresol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 2NO2pcsl
pubchem: 8391
cas number: 119-33-5
cas number: 68137-08-6
cas number: 12167-20-3
broader: CHEMONTID_0000141
iupac name: 4-Methyl-2-nitrophenol @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3
formula: C7H7NO3
inchikey: SYDNSSSQVSOXTN-UHFFFAOYSA-N
smiles: CC1=CC(=C(C=C1)O)[N+](=O)[O-]

ammoniumperchloraat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: HHEFNVCDPLQQTP-UHFFFAOYSA-N
broader: CHEMONTID_0001065
cas number: 28499-39-0
cas number: 7790-98-9
cas number: 222532-79-8
cas number: 19166-97-3
cas number: 87110-01-8
cas number: 13777-04-3
cas number: 53026-82-7
formula: ClH4NO4
smiles: [NH4+].[O-]Cl(=O)(=O)=O
pubchem: 24639
inchi: InChI=1S/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3
iupac name: azanium perchlorate @en
in scheme: Conceptschema Chemische Stoffen
notation: NH4ClO4

5-beta-cholestan-3-beta-ol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 221122
cas number: 360-68-9
broader: CHEMONTID_0001469
inchi: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
formula: C27H48O
iupac name: (3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol @en
in scheme: Conceptschema Chemische Stoffen
inchikey: QYIXCDOBOSTCEI-NWKZBHTNSA-N
notation: 5acholet3bol

chroom 51
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 104786
notation: Cr51
inchi: InChI=1S/Cr/i1-1
in scheme: Conceptschema Chemische Stoffen
smiles: [Cr]
iupac name: chromium-51 @en
inchikey: VYZAMTAEIAYCRO-BJUDXGSMSA-N
broader: CHEMONTID_0000426
cas number: 14392-02-0
formula: Cr

myristoleinezuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CCCCC=CCCCCCCCC(=O)O
in scheme: Conceptschema Chemische Stoffen
inchikey: YWWVWXASSLXJHU-WAYWQWQTSA-N
broader: CHEMONTID_0002949
formula: C14H26O2
cas number: 544-64-9
notation: myrslinzr
iupac name: (Z)-Tetradec-9-enoic acid @en
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-
pubchem: 5281119

fenpropathrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: XQUXKZZNEFRCAW-UHFFFAOYSA-N
pubchem: 47326
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate @en
inchi: InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3
formula: C22H23NO3
broader: CHEMONTID_0004155
smiles: CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C
cas number: 39515-41-8
cas number: 64257-84-7
notation: fenpratn
in scheme: Conceptschema Chemische Stoffen

2-propenylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 128961-80-8
cas number: 57807-91-7
cas number: 300-57-2
smiles: C=CCC1=CC=CC=C1
iupac name: prop-2-enylbenzene @en
broader: CHEMONTID_0002279
pubchem: 9309
notation: 2C3yeBen
inchi: InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
inchikey: HJWLCRVIBGQPNF-UHFFFAOYSA-N
formula: C9H10
in scheme: Conceptschema Chemische Stoffen

hydrocortison
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: JYGXADMDTFJGBT-VWUMJDOOSA-N
inchi: InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
formula: C21H30O5
iupac name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one @en
cas number: 8063-42-1
cas number: 50-23-7
cas number: 80562-38-5
cas number: 8056-08-4
notation: Hcortsn
broader: CHEMONTID_0003095
pubchem: 5754
in scheme: Conceptschema Chemische Stoffen

1,2,3,4-tetrahydronaftaleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 68412-24-8
cas number: 119-64-2
notation: 1234T4HNaf
pubchem: 8404
inchi: InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
inchikey: CXWXQJXEFPUFDZ-UHFFFAOYSA-N
iupac name: 1,2,3,4-Tetrahydronaphthalene @en
smiles: C1CCC2=CC=CC=C2C1
broader: CHEMONTID_0000048
formula: C10H12
in scheme: Conceptschema Chemische Stoffen

1,1-dichloor-1,2,2-trifluorethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: HCFK123b
inchikey: AFTSHZRGGNMLHC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 13132
iupac name: 1,1-Dichloro-1,2,2-trifluoroethane @en
inchi: InChI=1S/C2HCl2F3/c3-2(4,7)1(5)6/h1H
formula: C2HCl2F3
broader: CHEMONTID_0001517
cas number: 812-04-4
smiles: C(C(F)(Cl)Cl)(F)F

isopropylmyristaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 110-27-0
cas number: 1405-98-7
broader: CHEMONTID_0000324
iupac name: propan-2-yl tetradecanoate @en
pubchem: 8042
formula: C17H34O2
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCC(=O)OC(C)C
inchi: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
notation: iC3ymrtt
inchikey: AXISYYRBXTVTFY-UHFFFAOYSA-N

zoxamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 156052-68-5
cas number: 160171-18-6
pubchem: 122087
inchikey: SOUGWDPPRBKJEX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C14H16Cl3NO2
iupac name: 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide @en
broader: CHEMONTID_0002564
inchi: InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)
notation: zOaAd

2-benzothiazolethiol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4464-58-8
cas number: 119170-41-1
cas number: 55199-93-4
cas number: 112242-83-8
cas number: 81605-65-4
cas number: 12640-90-3
cas number: 149-30-4
pubchem: 8997
formula: C7H5NS2
smiles: C1=CC=C2C(=C1)N=C(S2)S
broader: CHEMONTID_0000311
notation: 2benztazetol
in scheme: Conceptschema Chemische Stoffen
inchikey: YXIWHUQXZSMYRE-UHFFFAOYSA-N
inchi: InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
iupac name: 3H-1,3-benzothiazole-2-thione @en

fenfluthrin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 67640-14-6
formula: C15H11Cl2F5O2
broader: CHEMONTID_0001097
pubchem: 128901
iupac name: (2,3,4,5,6-pentafluorophenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
notation: fenftn
inchikey: YATDSXRLIUJOQN-UHFFFAOYSA-N

natriumfluoracetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0003000
cas number: 62-74-8
pubchem: 6123
smiles: C(C(=O)[O-])F.[Na+]
iupac name: sodium 2-fluoroacetate @en
inchikey: JGFYQVQAXANWJU-UHFFFAOYSA-M
inchi: InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
formula: C2H2FNaO2
in scheme: Conceptschema Chemische Stoffen
notation: NaFactt

2,2',3,3',4,4',6-heptachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C12H3Cl7
pubchem: 40478
iupac name: 1,2,3,5-tetrachloro-4-(2,3,4-trichlorophenyl)benzene @en
broader: CHEMONTID_0003030
inchi: InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)10(5)17)8-6(14)3-7(15)11(18)12(8)19/h1-3H
notation: PCB171
in scheme: Conceptschema Chemische Stoffen
cas number: 52663-71-5
inchikey: TZMHVHLTPWKZCI-UHFFFAOYSA-N

3-ethyltolueen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 1-Ethyl-3-methylbenzene @en
inchi: InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
inchikey: ZLCSFXXPPANWQY-UHFFFAOYSA-N
smiles: CCC1=CC=CC(=C1)C
pubchem: 12100
in scheme: Conceptschema Chemische Stoffen
notation: 3C2yTol
formula: C9H12
cas number: 620-14-4
broader: CHEMONTID_0001091

diundecylftalaat (vertakt en lineair)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: diundecyl benzene-1,2-dicarboxylate @en
alternative label: diundecylftalaat
alternative label: di-n-undecylftalaat
notation: DC11yFtvteln
notation: DC11yFt
inchi: InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3
pubchem: 19283
inchikey: QQVHEQUEHCEAKS-UHFFFAOYSA-N
cas number: 154766-25-3
cas number: 85507-79-5
cas number: 3648-20-2
formula: C30H50O4
broader: CHEMONTID_0001350

4-aminoantipyrine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: RLFWWDJHLFCNIJ-UHFFFAOYSA-N
cas number: 83-07-8
broader: CHEMONTID_0002019
formula: C11H13N3O
notation: 4Aoatprne
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one @en
pubchem: 2151
inchi: InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3

teflubenzuron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C14H6Cl2F4N2O2
broader: CHEMONTID_0002564
notation: tefbzrn
in scheme: Conceptschema Chemische Stoffen
cas number: 99039-56-2
cas number: 83121-18-0
inchikey: CJDWRQLODFKPEL-UHFFFAOYSA-N
pubchem: 91734
iupac name: N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide @en

aceetamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: actAd
smiles: CC(=O)N
inchi: InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
iupac name: ACETAMIDE @en
broader: CHEMONTID_0002484
inchikey: DLFVBJFMPXGRIB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 60-35-5
formula: C2H5NO
pubchem: 178

paramethason
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003095
notation: parmtsn
formula: C22H29FO5
pubchem: 5875
inchikey: MKPDWECBUAZOHP-AFYJWTTESA-N
inchi: InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1
cas number: 53-33-8
iupac name: (6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one @en

gamma-hexachloorcyclohexaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+
cas number: 58-89-9
formula: C6H6Cl6
in scheme: Conceptschema Chemische Stoffen
alternative label: lindaan
alternative label: γ-lindaan
alternative label: γ-hexachlorocyclohexaan
notation: gHCH
inchikey: JLYXXMFPNIAWKQ-GNIYUCBRSA-N
broader: CHEMONTID_0004485
iupac name: (1r,2R,3S,4r,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane @en

beta-hexachloorcyclohexaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0004485
formula: C6H6Cl6
alternative label: β-hexachlorocyclohexaan
alternative label: β-lindaan
inchi: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-
cas number: 319-85-7
notation: bHCH
iupac name: (1r,2t,3c,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane @en
in scheme: Conceptschema Chemische Stoffen
inchikey: JLYXXMFPNIAWKQ-CDRYSYESSA-N

3,5-dichloorfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C1=C(C=C(C=C1Cl)Cl)O
inchikey: VPOMSPZBQMDLTM-UHFFFAOYSA-N
formula: C6H4Cl2O
iupac name: 3,5-Dichlorophenol @en
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 35DClFol
cas number: 591-35-5
pubchem: 11571
inchi: InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

1-isopropyl-3-methyl-benzeen (m-cymeen)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C10H14
cas number: 535-77-3
iupac name: 1-methyl-3-propan-2-ylbenzene @en
inchi: InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3
inchikey: XCYJPXQACVEIOS-UHFFFAOYSA-N
pubchem: 10812
smiles: CC1=CC(=CC=C1)C(C)C
in scheme: Conceptschema Chemische Stoffen
notation: 1iC3y3C1yBen
broader: CHEMONTID_0000355

n-methylethanolamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
alternative label: N-methylethanolamine
inchi: InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3
iupac name: 2-Methylaminoethanol @en
smiles: CNCCO
in scheme: Conceptschema Chemische Stoffen
pubchem: 8016
broader: CHEMONTID_0001897
inchikey: OPKOKAMJFNKNAS-UHFFFAOYSA-N
cas number: 109-83-1
formula: C3H9NO
notation: NMEA

europium 155
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: europium-155 @en
broader: CHEMONTID_0000429
inchikey: OGPBJKLSAFTDLK-AKLPVKDBSA-N
in scheme: Conceptschema Chemische Stoffen
notation: Eu155
smiles: [Eu]
formula: Eu
inchi: InChI=1S/Eu/i1+3
cas number: 14391-16-3
pubchem: 105088

fenhexamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)
cas number: 126833-17-8
smiles: CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl
notation: fenhxAd
broader: CHEMONTID_0000285
pubchem: 213031
iupac name: N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide @en
in scheme: Conceptschema Chemische Stoffen
inchikey: VDLGAVXLJYLFDH-UHFFFAOYSA-N
formula: C14H17Cl2NO2

monofenyltin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2406-68-0
in scheme: Conceptschema Chemische Stoffen
inchikey: JDWJZEXJARCHAT-UHFFFAOYSA-N
pubchem: 6335496
inchi: InChI=1S/C6H7.Sn/c1-2-4-6-5-3-1;/h1-5H,6H2;
iupac name: 1-cyclohexa-2,4-dienyltin @en
formula: C6H7Sn
broader: CHEMONTID_0004441
smiles: C1C=CC=CC1[Sn]

hexahydro-1,3,5-trinitro-1,3,5-triazin (rdx)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: XTFIVUDBNACUBN-UHFFFAOYSA-N
pubchem: 8490
inchi: InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2
cas number: 82030-42-0
cas number: 53800-53-6
cas number: 57608-45-4
cas number: 121-82-4
cas number: 50579-23-2
cas number: 204655-61-8
alternative label: hexahydro-1,3,5-trinitro-1,3,5-triazin (RDX)
formula: C3H6N6O6
iupac name: 1,3,5-trinitro-1,3,5-triazinane @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002798
notation: RDX
smiles: C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

di-isoheptylftalaat (mix van isomeren)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 71888-89-6
cas number: 151852-28-7
cas number: 41451-28-9
inchi: InChI=1S/C22H34O4/c1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3
pubchem: 591200
inchikey: RKELNIPLHQEBJO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C22H34O4
broader: CHEMONTID_0001350
iupac name: bis(5-methylhexyl) benzene-1,2-dicarboxylate @en

2-octanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C8H18O
iupac name: octan-2-ol @en
cas number: 4128-31-8
cas number: 113244-40-9
cas number: 113301-48-7
cas number: 6169-06-8
cas number: 123-96-6
cas number: 25339-16-6
broader: CHEMONTID_0001334
notation: 2C8ol
pubchem: 20083
inchikey: SJWFXCIHNDVPSH-UHFFFAOYSA-N
inchi: InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCC(C)O

borneol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: DTGKSKDOIYIVQL-UHFFFAOYSA-N
broader: CHEMONTID_0001564
cas number: 10385-78-1
cas number: 507-70-0
formula: C10H18O
smiles: CC1(C2CCC1(C(C2)O)C)C
in scheme: Conceptschema Chemische Stoffen
pubchem: 64685
inchi: InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
notation: bornol
iupac name: 1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol @en

5h-dibenz[b,f]azepine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H
formula: C14H11N
inchikey: LCGTWRLJTMHIQZ-UHFFFAOYSA-N
cas number: 256-96-2
smiles: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2
alternative label: 5H-dibenz[b,f]azepine
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000320
notation: 5HDbenzbfazp
pubchem: 9212
iupac name: 11H-benzo[b][1]benzazepine @en

mestranol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
smiles: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC
inchikey: IMSSROKUHAOUJS-MJCUULBUSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001466
formula: C21H26O2
cas number: 43085-54-7
cas number: 72-33-3
cas number: 53445-46-8
iupac name: (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol @en
notation: mesnl
pubchem: 6291

p-anisidine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: pansdne
pubchem: 7732
broader: CHEMONTID_0004670
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
smiles: COC1=CC=C(C=C1)N
iupac name: 4-Methoxyaniline @en
cas number: 104-94-9
formula: C7H9NO
inchikey: BHAAPTBBJKJZER-UHFFFAOYSA-N

arsenaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: DJHGAFSJWGLOIV-UHFFFAOYSA-K
cas number: 25537-06-8
cas number: 15584-04-0
cas number: 11126-32-2
iupac name: arsorate @en
inchi: InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-3
smiles: [O-][As](=O)([O-])[O-]
pubchem: 27401
broader: CHEMONTID_0001474
in scheme: Conceptschema Chemische Stoffen
formula: AsO4-3
notation: AsO4

natriumnitriet
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7632-00-0
cas number: 32863-15-3
cas number: 82998-40-1
cas number: 82497-43-6
cas number: 56227-20-4
inchikey: LPXPTNMVRIOKMN-UHFFFAOYSA-M
broader: CHEMONTID_0000644
notation: NNaO2
in scheme: Conceptschema Chemische Stoffen
pubchem: 24269
smiles: N(=O)[O-].[Na+]
formula: NNaO2
inchi: InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
iupac name: SODIUM NITRITE @en

ethylamylketon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C8H16O
smiles: CCCCCC(=O)CC
inchikey: RHLVCLIPMVJYKS-UHFFFAOYSA-N
broader: CHEMONTID_0000118
iupac name: Octan-3-one @en
inchi: InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
cas number: 106-68-3
pubchem: 246728
notation: C2yamktn

2-amino-5-chloor-4-methylbenzeensulfonzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C7H8ClNO3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)
in scheme: Conceptschema Chemische Stoffen
inchikey: VYZCFAPUHSSYCC-UHFFFAOYSA-N
cas number: 88-53-9
iupac name: 2-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACID @en
broader: CHEMONTID_0003278
formula: C7H8ClNO3S
notation: 2Ao5Cl4C1yBe
pubchem: 6936
smiles: CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N

dialifos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 25146
formula: C14H17ClNO4PS2
cas number: 10311-84-9
inchikey: MUMQYXACQUZOFP-UHFFFAOYSA-N
notation: Dalfs
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004749

chloordimeform
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 6164-98-3
notation: ClDmfm
formula: C10H13ClN2
inchikey: STUSTWKEFDQFFZ-UHFFFAOYSA-N
broader: CHEMONTID_0001099
pubchem: 22544
inchi: InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3
iupac name: N'-(4-Chloro-2-methylphenyl)-N,N-dimethylmethanimidamide @en
smiles: CC1=C(C=CC(=C1)Cl)N=CN(C)C

2-propaanthiol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C3H8S
inchi: InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3
in scheme: Conceptschema Chemische Stoffen
cas number: 75-33-2
notation: 2C3atol
smiles: CC(C)S
inchikey: KJRCEJOSASVSRA-UHFFFAOYSA-N
broader: CHEMONTID_0001212
iupac name: Propane-2-thiol @en
pubchem: 6364

3-methylpyrazol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 3-methyl-2H-pyrazole @en
inchikey: XKVUYEYANWFIJX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 1453-58-3
cas number: 88054-14-2
notation: 3C1yprzl
smiles: CC1=CC=NN1
pubchem: 15073
inchi: InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
formula: C4H6N2
broader: CHEMONTID_0000087

N,N-dimethyl-N'-fenylsulfamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000038
smiles: CN(C)S(=O)(=O)NC1=CC=CC=C1
formula: C8H12N2O2S
iupac name: (dimethylsulfamoylamino)benzene @en
notation: NNDC1yNFysAd
cas number: 4710-17-2
inchi: InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)9-8-6-4-3-5-7-8/h3-7,9H,1-2H3
pubchem: 78441
in scheme: Conceptschema Chemische Stoffen
inchikey: QCDQDISRALTLNQ-UHFFFAOYSA-N
alternative label: n,n-dimethyl-n'-fenylsulfamide

californium 251
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
formula: Cf
iupac name: californium-251 @en
inchikey: HGLDOAKPQXAFKI-IGMARMGPSA-N
smiles: [Cf]
cas number: 15765-19-2
inchi: InChI=1S/Cf/i1+0
pubchem: 167416
notation: Cf251

gemcitabine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 95058-81-4
smiles: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002180
inchi: InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1
pubchem: 60750
formula: C9H11F2N3O4
notation: gemctbne
iupac name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one @en
inchikey: SDUQYLNIPVEERB-QPPQHZFASA-N

2,2-dichloor-1,1,1,3,3-pentafluorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0001517
inchi: InChI=1S/C3HCl2F5/c4-2(5,1(6)7)3(8,9)10/h1H
inchikey: JEWUXLHWYRSHJK-UHFFFAOYSA-N
cas number: 128903-21-9
iupac name: 2,2-DICHLORO-1,1,1,3,3-PENTAFLUOROPROPANE @en
in scheme: Conceptschema Chemische Stoffen
notation: HCFK225aa
formula: C3HCl2F5
pubchem: 62315
smiles: C(C(C(F)(F)F)(Cl)Cl)(F)F

methylcarbamaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C2H5NO2
iupac name: Methyl carbamate @en
inchi: InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)
in scheme: Conceptschema Chemische Stoffen
inchikey: GTCAXTIRRLKXRU-UHFFFAOYSA-N
pubchem: 11722
notation: C1ycbmt
cas number: 598-55-0
broader: CHEMONTID_0004787
smiles: COC(=O)N

ruthenium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: RUTHENIUM @en
notation: Ru
pubchem: 23950
inchi: InChI=1S/Ru
cas number: 57572-01-7
cas number: 100041-48-3
cas number: 7440-18-8
smiles: [Ru]
formula: Ru
broader: CHEMONTID_0000426
inchikey: KJTLSVCANCCWHF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

ethylbromofos
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004748
inchikey: KWGUFOITWDSNQY-UHFFFAOYSA-N
smiles: CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)Br)Cl
pubchem: 20965
in scheme: Conceptschema Chemische Stoffen
iupac name: (4-bromo-2,5-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane @en
cas number: 4824-78-6
notation: C2yBrfs
alternative label: bromofos-ethyl
alternative label: bromophos-ethyl
formula: C10H12BrCl2O3PS

tetradecyltrimethylammonium bromide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 8044-71-1
cas number: 114568-24-0
cas number: 1119-97-7
cas number: 10182-92-0
inchikey: CXRFDZFCGOPDTD-UHFFFAOYSA-M
iupac name: trimethyl-tetradecylazanium bromide @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 14250
formula: C17H38BrN
notation: C14yTC1yNH4B
broader: CHEMONTID_0004225
inchi: InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
smiles: CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]

fenylaceton
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: 1-phenylpropan-2-one @en
in scheme: Conceptschema Chemische Stoffen
cas number: 103-79-7
cas number: 136675-26-8
smiles: CC(=O)CC1=CC=CC=C1
inchikey: QCCDLTOVEPVEJK-UHFFFAOYSA-N
broader: CHEMONTID_0002811
notation: Fyactn
inchi: InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
formula: C9H10O
pubchem: 7678

furazolidon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8027-73-4
cas number: 8023-25-4
cas number: 67-45-8
smiles: C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]
iupac name: 3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one @en
inchikey: PLHJDBGFXBMTGZ-WEVVVXLNSA-N
in scheme: Conceptschema Chemische Stoffen
notation: furzldn
inchi: InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+
pubchem: 5323714
broader: CHEMONTID_0000194
formula: C8H7N3O5

3,3'-dimethylbenzidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 4-(4-amino-3-methylphenyl)-2-methylaniline @en
notation: 33DC1ybzdne
smiles: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
formula: C14H16N2
cas number: 119-93-7
inchikey: NUIURNJTPRWVAP-UHFFFAOYSA-N
pubchem: 8413
broader: CHEMONTID_0003956
inchi: InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3
in scheme: Conceptschema Chemische Stoffen

4-methylquinoline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001253
in scheme: Conceptschema Chemische Stoffen
cas number: 491-35-0
smiles: CC1=CC=NC2=CC=CC=C12
inchi: InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
notation: 4C1yqnlne
formula: C10H9N
pubchem: 10285
inchikey: MUDSDYNRBDKLGK-UHFFFAOYSA-N
iupac name: 4-Methylquinoline @en

clotrimazol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 2812
cas number: 117829-71-7
cas number: 23593-75-1
notation: clotmzl
inchikey: VNFPBHJOKIVQEB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-[(2-chlorophenyl)-di(phenyl)methyl]imidazole @en
broader: CHEMONTID_0004524
formula: C22H17ClN2
inchi: InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H

trans-permetryn
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
alternative label: trans-permethrin
pubchem: 43859
inchi: InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1
broader: CHEMONTID_0001461
formula: C21H20Cl2O3
notation: tpermtn
cas number: 61949-77-7
inchikey: RLLPVAHGXHCWKJ-MJGOQNOKSA-N
iupac name: [3-(phenoxy)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en

fosmet-oxon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: BEMXOWRVWRNPPL-UHFFFAOYSA-N
pubchem: 77323
formula: C11H12NO5PS
notation: fosmOon
broader: CHEMONTID_0004749
cas number: 3735-33-9
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C11H12NO5PS/c1-16-18(15,17-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
smiles: COP(=O)(OC)SCN1C(=O)C2=CC=CC=C2C1=O

simetryn
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 13905
notation: simtn
broader: CHEMONTID_0004735
inchikey: MGLWZSOBALDPEK-UHFFFAOYSA-N
smiles: CCNC1=NC(=NC(=N1)SC)NCC
formula: C8H15N5S
iupac name: N,N'-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine @en
cas number: 1014-70-6
inchi: InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
in scheme: Conceptschema Chemische Stoffen

alfa-hexylcinnamaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: ['2-(phenylmethylidene)octanal', '(2E)-2-(phenylmethylidene)octanal'] @en
inchikey: GUUHFMWKWLOQMM-NTCAYCPXSA-N
cas number: 101-86-0
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
formula: C15H20O
pubchem: 1550884
smiles: CCCCCCC(=CC1=CC=CC=C1)C=O
broader: CHEMONTID_0000029
notation: aC6ycinnAh

naptalam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 132-66-1
inchi: InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
notation: naptlm
in scheme: Conceptschema Chemische Stoffen
formula: C18H13NO3
broader: CHEMONTID_0000023
inchikey: JXTHEWSKYLZVJC-UHFFFAOYSA-N
pubchem: 8594
iupac name: 2-(naphthalen-1-ylcarbamoyl)benzoic acid @en

perfluoroctaansulfonamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003960
cas number: 754-91-6
alternative label: perfluoroctaansulfonamide (pfosa)
alternative label: perfluor-n-octaansulfonamide
pubchem: 69785
formula: C8H2F17NO2S
inchikey: RRRXPPIDPYTNJG-UHFFFAOYSA-N
notation: PFOSA
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide @en
inchi: InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)
in scheme: Conceptschema Chemische Stoffen

3-chloor-4-nitrotolueen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C7H6ClNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
broader: CHEMONTID_0000036
notation: 3Cl4NO2Tol
pubchem: 123478
iupac name: 2-chloro-4-methyl-1-nitrobenzene @en
smiles: CC1=CC(=C(C=C1)[N+](=O)[O-])Cl
formula: C7H6ClNO2
in scheme: Conceptschema Chemische Stoffen
inchikey: KGSQRFPDZCBVBS-UHFFFAOYSA-N
cas number: 38939-88-7

17alpha-estradiol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C18H24O2
broader: CHEMONTID_0003570
cas number: 57-91-0
inchi: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
pubchem: 68570
notation: 17aestDol
alternative label: 17-alfa-estradiol
smiles: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
iupac name: (8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol @en
inchikey: VOXZDWNPVJITMN-SFFUCWETSA-N

triethyleenglycol dimethacrylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 77302-65-9
cas number: 116117-65-8
cas number: 76611-53-5
cas number: 121484-13-7
cas number: 143083-95-8
cas number: 212247-03-5
cas number: 121150-61-6
cas number: 72145-92-7
cas number: 52325-89-0
cas number: 64641-52-7
cas number: 202134-79-0
cas number: 102770-39-8
cas number: 113723-03-8
cas number: 107869-00-1
cas number: 120415-48-7
cas number: 184845-37-2
cas number: 37291-80-8
cas number: 109-16-0
notation: TC2yegclDmtc
iupac name: 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate @en
inchikey: HWSSEYVMGDIFMH-UHFFFAOYSA-N
inchi: InChI=1S/C14H22O6/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 7979
broader: CHEMONTID_0000346
smiles: CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C
formula: C14H22O6

trifenmorf
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C23H23NO
pubchem: 14993
notation: Tfmf
inchikey: ZJMLMBICUVVJDX-UHFFFAOYSA-N
inchi: InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2
cas number: 1420-06-0
broader: CHEMONTID_0004524
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-[tri(phenyl)methyl]morpholine @en

7-aminoflunitrazepam
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C16H14FN3O
in scheme: Conceptschema Chemische Stoffen
pubchem: 92294
cas number: 34084-50-9
broader: CHEMONTID_0004097
iupac name: 7-amino-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one @en
notation: 7Aofntzpm
inchikey: LTCDLGUFORGHGY-UHFFFAOYSA-N
inchi: InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3

pyraclostrobin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate @en
formula: C19H18ClN3O4
inchikey: HZRSNVGNWUDEFX-UHFFFAOYSA-N
pubchem: 6422843
broader: CHEMONTID_0002019
notation: pyrcsbn
cas number: 175013-18-0
inchi: InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
in scheme: Conceptschema Chemische Stoffen

isosorbide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 12597
cas number: 152881-21-5
cas number: 151380-60-8
cas number: 652-67-5
cas number: 50974-60-2
cas number: 42750-75-4
cas number: 49871-92-3
broader: CHEMONTID_0001987
notation: issbde
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1
inchikey: KLDXJTOLSGUMSJ-JGWLITMVSA-N
smiles: C1C(C2C(O1)C(CO2)O)O
iupac name: (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol @en
in scheme: Conceptschema Chemische Stoffen

C.I. Direct Blue 218
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 27569-07-9
cas number: 10401-50-0
cas number: 72882-28-1
cas number: 23909-66-2
cas number: 28407-37-6
cas number: 190258-21-0
inchikey: RIQIBKLXYRWFEJ-BRBBMYSQSA-J
pubchem: 9570455
formula: C32H20Cu2N6Na4O16S4
broader: CHEMONTID_0000041
notation: cidbe218
alternative label: c.i. direct blue 218
iupac name: tetrasodium; (3E)-5-amino-3-[[4-[4-[(2E)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-hydroxyphenyl]-2-hydroxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate; copper @en

2,6,6-trimethyl-1-cyclohexeen-1-carboxaldehyde
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 2,6,6-Trimethylcyclohexene-1-carbaldehyde @en
in scheme: Conceptschema Chemische Stoffen
formula: C10H16O
broader: CHEMONTID_0003940
smiles: CC1=C(C(CCC1)(C)C)C=O
inchikey: MOQGCGNUWBPGTQ-UHFFFAOYSA-N
cas number: 52844-21-0
cas number: 432-25-7
pubchem: 9895
notation: 226TC1y1ccC6
inchi: InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3

3,3',4,4'-tetrabroomdifenylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C12H6Br4
broader: CHEMONTID_0003954
pubchem: 107953
cas number: 77102-82-0
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H6Br4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H
iupac name: 1,2-dibromo-4-(3,4-dibromophenyl)benzene @en
notation: PBDE77
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)Br)Br)Br)Br
inchikey: BVGDXTYHVRFEQZ-UHFFFAOYSA-N

2-undecanon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 112-12-9
iupac name: Undecan-2-one @en
smiles: CCCCCCCCCC(=O)C
inchikey: KYWIYKKSMDLRDC-UHFFFAOYSA-N
formula: C11H22O
broader: CHEMONTID_0000118
notation: 2C11on
pubchem: 8163
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3

3,3'-dichloorbenzidine dihydrochloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: BXAONUZFBUNTQR-UHFFFAOYSA-N
pubchem: 11933
iupac name: 4-(4-amino-3-chlorophenyl)-2-chloroaniline dihydrochloride @en
formula: C12H12Cl4N2
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl
broader: CHEMONTID_0003956
cas number: 612-83-9
notation: 33DClbzdnDHC
inchi: InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H

tetrakis(hydroxymethyl)fosfoniumsulfaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C8H24O12P2S
smiles: C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-]
broader: CHEMONTID_0001180
notation: T4kHOC1yPSO4
inchikey: YIEDHPBKGZGLIK-UHFFFAOYSA-L
inchi: InChI=1S/2C4H12O4P.H2O4S/c2*5-1-9(2-6,3-7)4-8;1-5(2,3)4/h2*5-8H,1-4H2;(H2,1,2,3,4)/q2*+1;/p-2
cas number: 65257-04-7
cas number: 58591-11-0
cas number: 55566-30-8
in scheme: Conceptschema Chemische Stoffen
iupac name: tetrakis(hydroxymethyl)phosphanium sulfate @en
pubchem: 41478

5-methyl-o-anisidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC1=CC(=C(C=C1)OC)N
broader: CHEMONTID_0004670
formula: C8H11NO
inchikey: WXWCDTXEKCVRRO-UHFFFAOYSA-N
notation: 5C1yoansdne
inchi: InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
pubchem: 8445
iupac name: 2-Methoxy-5-methylaniline @en
in scheme: Conceptschema Chemische Stoffen
cas number: 120-71-8

2,5-dihydro-2,5-dimethoxyfuran
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 332-77-4
inchi: InChI=1S/C6H10O3/c1-7-5-3-4-6(8-2)9-5/h3-6H,1-2H3
broader: CHEMONTID_0001983
smiles: COC1C=CC(O1)OC
formula: C6H10O3
notation: 25DHOx25DC1o
inchikey: WXFWXFIWDGJRSC-UHFFFAOYSA-N
iupac name: 2,5-DIMETHOXY-2,5-DIHYDROFURAN @en
pubchem: 78974

N-ethyl-3-methylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3
alternative label: n-ethyl-3-methylaniline
formula: C9H13N
cas number: 102-27-2
inchikey: GUYMMHOQXYZMJQ-UHFFFAOYSA-N
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
pubchem: 7603
smiles: CCNC1=CC=CC(=C1)C
iupac name: N-Ethyl-3-methylaniline @en
notation: NC2y3C1yAn

2,5-furaandion
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: C1=CC(=O)OC1=O
formula: C4H2O3
cas number: 224641-15-0
cas number: 224641-13-8
cas number: 108-31-6
cas number: 24937-72-2
cas number: 224641-16-1
cas number: 184288-31-1
iupac name: furan-2,5-dione @en
inchi: InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H
notation: 25furDon
pubchem: 7923
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002223
inchikey: FPYJFEHAWHCUMM-UHFFFAOYSA-N

mono-(2-ethylhexyl)-hexaandioaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: M2C2yC6yC6aD
cas number: 4337-65-9
iupac name: 6-(2-ethylhexoxy)-6-oxohexanoic acid @en
inchikey: MBGYSHXGENGTBP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 20342
broader: CHEMONTID_0003086
smiles: CCCCC(CC)COC(=O)CCCCC(=O)O
inchi: InChI=1S/C14H26O4/c1-3-5-8-12(4-2)11-18-14(17)10-7-6-9-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)
formula: C14H26O4

flunitrazepam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: fluntzpm
broader: CHEMONTID_0004097
smiles: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
cas number: 1622-62-4
formula: C16H12FN3O3
iupac name: 5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one @en
in scheme: Conceptschema Chemische Stoffen
inchikey: PPTYJKAXVCCBDU-UHFFFAOYSA-N
inchi: InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
pubchem: 3380

bis(2-ethylhexyl)ester 1,3-benzeendicarbonzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3
iupac name: bis(2-ethylhexyl) benzene-1,3-dicarboxylate @en
inchikey: WXZOXVVKILCOPG-UHFFFAOYSA-N
formula: C24H38O4
in scheme: Conceptschema Chemische Stoffen
pubchem: 8733
notation: bis2C2yC6yEs
cas number: 137-89-3
broader: CHEMONTID_0004010

1,2,2-trichloorfluorethaan (fc-131)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 1,1,2-TRICHLORO-2-FLUOROETHANE @en
in scheme: Conceptschema Chemische Stoffen
inchikey: ORMSTDJYMPIZAO-UHFFFAOYSA-N
broader: CHEMONTID_0001517
alternative label: 1,2,2-trichloorfluorethaan (Fc-131)
smiles: C(C(Cl)Cl)(F)Cl
cas number: 134237-34-6
cas number: 359-28-4
pubchem: 9666
inchi: InChI=1S/C2H2Cl3F/c3-1(4)2(5)6/h1-2H
formula: C2H2Cl3F
notation: HCFK131

dimethylglycol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C4H10O2
pubchem: 220010
broader: CHEMONTID_0002467
notation: 23C4aDol
inchikey: OWBTYPJTUOEWEK-ZXZARUISSA-N
cas number: 5341-95-7
cas number: 513-85-9
inchi: InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+
iupac name: (2R,3S)-butane-2,3-diol @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C(C)O)O

hexylbenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: C6yBen
smiles: CCCCCCC1=CC=CC=C1
formula: C12H18
iupac name: Hexylbenzene @en
inchi: InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3
cas number: 1077-16-3
cas number: 1320-01-0
cas number: 74296-34-7
broader: CHEMONTID_0002279
inchikey: LTEQMZWBSYACLV-UHFFFAOYSA-N
pubchem: 14109
in scheme: Conceptschema Chemische Stoffen

dithianon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 11096-35-8
cas number: 95591-89-2
cas number: 3347-22-6
notation: Dtann
pubchem: 18771
inchikey: PYZSVQVRHDXQSL-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C14H4N2O2S2
inchi: InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H
broader: CHEMONTID_0000023
iupac name: 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile @en
smiles: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N

difenzoquatmethylsulfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002019
pubchem: 39424
inchi: InChI=1S/C17H17N2.CH4O4S/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
inchikey: XQEMNBNCQVQXMO-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen
formula: C18H20N2O4S
iupac name: 1,2-dimethyl-3,5-diphenylpyrazol-1-ium; methyl sulfate @en
smiles: CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]
cas number: 43222-48-6
notation: DfzqtC1ySO4

cesium 134
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: Cs134
formula: Cs
broader: CHEMONTID_0000425
pubchem: 6335485
inchi: InChI=1S/Cs/i1+1
smiles: [Cs]
cas number: 13967-70-9
inchikey: TVFDJXOCXUVLDH-OUBTZVSYSA-N
iupac name: cesium-134 @en

1,5,9-cyclododecatrieen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002840
smiles: C1CC=CCCC=CCCC=C1
in scheme: Conceptschema Chemische Stoffen
iupac name: (1Z,5E,9Z)-cyclododeca-1,5,9-triene @en
inchikey: ZOLLIQAKMYWTBR-UDIJVJLMSA-N
notation: 159ccddcten
cas number: 4904-61-4
cas number: 2765-29-9
pubchem: 5357179
formula: C12H18
inchi: InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8+

2-methylthiobenzothiazool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C8H7NS2
cas number: 615-22-5
cas number: 64036-43-7
cas number: 31621-01-9
broader: CHEMONTID_0000311
inchi: InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
iupac name: 2-methylsulfanyl-1,3-benzothiazole @en
inchikey: UTBVIMLZIRIFFR-UHFFFAOYSA-N
notation: 2C1ytobztazl
smiles: CSC1=NC2=CC=CC=C2S1
pubchem: 11989

fenothrin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001461
cas number: 53528-32-8
cas number: 26002-80-2
cas number: 73170-79-3
inchi: InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3
iupac name: [3-(phenoxy)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 4767
notation: fentn
inchikey: SBNFWQZLDJGRLK-UHFFFAOYSA-N
formula: C23H26O3

2,5-diethoxyaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C10H15NO2
inchi: InChI=1S/C10H15NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4,11H2,1-2H3
inchikey: XPKFTIYOZUJAGA-UHFFFAOYSA-N
notation: 25DC2oxAn
in scheme: Conceptschema Chemische Stoffen
smiles: CCOC1=CC(=C(C=C1)OCC)N
broader: CHEMONTID_0004670
cas number: 94-85-9
pubchem: 66756
iupac name: 2,5-Diethoxyaniline @en

3,3'-dimethylbenzidine dihydrofluoride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C14H18F2N2
pubchem: 61994
cas number: 41766-75-0
notation: 33DC1ybzdnDH
smiles: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.F.F
iupac name: 4-(4-amino-3-methylphenyl)-2-methylaniline dihydrofluoride @en
broader: CHEMONTID_0003956
inchikey: AMCOFRYQNUYHDX-UHFFFAOYSA-N
inchi: InChI=1S/C14H16N2.2FH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H
in scheme: Conceptschema Chemische Stoffen

3,4,5-trimethacarb
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: Tmtcb
iupac name: (3,4,5-trimethylphenyl) N-methylcarbamate @en
broader: CHEMONTID_0004742
smiles: CC1=CC(=CC(=C1C)C)OC(=O)NC
cas number: 2686-99-9
pubchem: 17592
in scheme: Conceptschema Chemische Stoffen
inchikey: AUQAUAIUNJIIEP-UHFFFAOYSA-N
formula: C11H15NO2
alternative label: trimethacarb
inchi: InChI=1S/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13)

methylnaftylaceetamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C13H13NO
notation: C1yntacAd
broader: CHEMONTID_0000023
smiles: CC1=C(C2=CC=CC=C2C=C1)CC(=O)N
inchikey: AFOVBPMGZPJPKX-UHFFFAOYSA-N
pubchem: 66550
inchi: InChI=1S/C13H13NO/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13(14)15/h2-7H,8H2,1H3,(H2,14,15)
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-(2-methylnaphthalen-1-yl)acetamide @en
cas number: 85-07-4

2,3,3,3-tetrafluor-2-(heptafluorpropoxy)propionzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
alternative label: perfluor-2-propoxypropaanzuur (hfpo-da)
alternative label: perfluor-2-propoxypropaanzuur
alternative label: 2,3,3,3-tetrafluor-2(heptafluorpropoxy)propionzuur
pubchem: 114481
notation: HFPO-DA
notation: FRD-903
broader: CHEMONTID_0003000
iupac name: 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)
cas number: 13252-13-6
cas number: 26099-32-1
inchikey: CSEBNABAWMZWIF-UHFFFAOYSA-N
formula: C6HF11O3

ziram
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 14459-91-7
cas number: 137-30-4
cas number: 8059-74-3
cas number: 14460-20-9
cas number: 50933-80-7
cas number: 12773-04-5
cas number: 98391-07-2
cas number: 55870-88-7
cas number: 12768-61-5
cas number: 111922-61-3
cas number: 31300-71-7
cas number: 8070-07-3
cas number: 19488-81-4
cas number: 17125-91-6
formula: C6H12N2S4Zn
smiles: CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2]
pubchem: 8722
broader: CHEMONTID_0003997
notation: zirm
iupac name: zinc dimethylaminomethanedithioate @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
inchikey: DUBNHZYBDBBJHD-UHFFFAOYSA-L

desvenlafaxine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: desvlfxne
inchikey: KYYIDSXMWOZKMP-UHFFFAOYSA-N
iupac name: 4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenol @en
alternative label: o-desmethylvenlafaxine
pubchem: 125017
formula: C16H25NO2
cas number: 93413-62-8
broader: CHEMONTID_0002647
smiles: CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3

ritalinezuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O
cas number: 19395-41-6
iupac name: 2-phenyl-2-piperidin-2-ylacetic acid @en
inchi: InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003899
formula: C13H17NO2
notation: ritlnzr
inchikey: INGSNVSERUZOAK-UHFFFAOYSA-N
pubchem: 86863

glycidol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: oxiran-2-ylmethanol @en
in scheme: Conceptschema Chemische Stoffen
smiles: C1C(O1)CO
broader: CHEMONTID_0000159
pubchem: 11164
notation: glycdl
cas number: 556-52-5
cas number: 98913-54-3
cas number: 61915-27-3
inchikey: CTKINSOISVBQLD-UHFFFAOYSA-N
inchi: InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2
formula: C3H6O2

2,4-dinitrotolueen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: ['1-Methyl-2,4-dinitrobenzene', 'N,N-dihydroxy-4-methyl-3-nitroaniline'] @en
inchikey: RMBFBMJGBANMMK-UHFFFAOYSA-N
notation: 24DNO2Tol
cas number: 25321-14-6
cas number: 121-14-2
cas number: 1326-41-6
cas number: 185376-54-9
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
smiles: CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
pubchem: 8461
broader: CHEMONTID_0003969
formula: C7H6N2O4

cis-1,2-dibroometheen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: C(=CBr)Br
formula: C2H2Br2
in scheme: Conceptschema Chemische Stoffen
iupac name: ['(E)-1,2-Dibromoethene', '1,2-Dibromoethene'] @en
cas number: 25429-23-6
cas number: 590-12-5
cas number: 31389-08-9
inchikey: UWTUEMKLYAGTNQ-OWOJBTEDSA-N
pubchem: 637929
notation: c12DBrC2e
inchi: InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1+
broader: CHEMONTID_0002864

lisinopril
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C21H31N3O5.2H2O/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15;;/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29);2*1H2/t16-,17-,18-;;/m0../s1
iupac name: (2S)-1-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid dihydrate @en
pubchem: 5362118
cas number: 83915-83-7
cas number: 76547-98-3
cas number: 82009-35-6
formula: C21H35N3O7
notation: lisnpl
broader: CHEMONTID_0004830
inchikey: CZRQXSDBMCMPNJ-ZUIPZQNBSA-N
in scheme: Conceptschema Chemische Stoffen

dinonylftalaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: DC9yFt
cas number: 84-76-4
cas number: 68515-45-7
cas number: 68648-92-0
iupac name: dinonyl benzene-1,2-dicarboxylate @en
pubchem: 6787
formula: C26H42O4
inchikey: DROMNWUQASBTFM-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3

N,N-dimethylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C8H11N
smiles: CN(C)C1=CC=CC=C1
cas number: 168153-21-7
cas number: 121-69-7
cas number: 162744-63-0
cas number: 171745-67-8
inchikey: JLTDJTHDQAWBAV-UHFFFAOYSA-N
alternative label: n,n-dimethylaniline
iupac name: N,N-dimethylaniline @en
pubchem: 949
inchi: InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
notation: NNDC1yAn
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen

4-ethyltolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 1-Ethyl-4-methylbenzene @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 12160
cas number: 622-96-8
notation: 4C2yTol
broader: CHEMONTID_0001091
smiles: CCC1=CC=C(C=C1)C
formula: C9H12
inchi: InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
inchikey: JRLPEMVDPFPYPJ-UHFFFAOYSA-N

kaliumchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 4873
cas number: 7447-40-7
cas number: 126415-35-8
cas number: 12599-00-7
cas number: 59217-68-4
formula: ClK
iupac name: Potassium chloride @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/ClH.K/h1H;/q;+1/p-1
smiles: [Cl-].[K+]
broader: CHEMONTID_0000563
notation: KCl
inchikey: WCUXLLCKKVVCTQ-UHFFFAOYSA-M

nonanal
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 31289
inchikey: GYHFUZHODSMOHU-UHFFFAOYSA-N
cas number: 75718-12-6
cas number: 124-19-6
iupac name: Nonanal @en
broader: CHEMONTID_0002229
in scheme: Conceptschema Chemische Stoffen
formula: C9H18O
inchi: InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
smiles: CCCCCCCCC=O
notation: C9al

3-pentanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: FDPIMTJIUBPUKL-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 7288
iupac name: pentan-3-one @en
formula: C5H10O
broader: CHEMONTID_0000118
cas number: 96-22-0
inchi: InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
smiles: CCC(=O)CC
notation: 3C5on

n-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: WQNQTJSLPDZSDK-UHFFFAOYSA-N
pubchem: 157337
alternative label: N-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide
notation: Capstone A (DPOSA)
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000270
cas number: 80475-32-7
iupac name: 3-dimethylamino-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)propan-1-amine oxide @en
formula: C13H17F13N2O3S

testosteron cypionaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 441404
formula: C27H40O3
notation: testtrcpont
cas number: 58-20-8
broader: CHEMONTID_0001691
inchi: InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1
in scheme: Conceptschema Chemische Stoffen
iupac name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate @en
inchikey: HPFVBGJFAYZEBE-ZLQWOROUSA-N

2,5-dimethylhexaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3
in scheme: Conceptschema Chemische Stoffen
inchikey: UWNADWZGEHDQAB-UHFFFAOYSA-N
broader: CHEMONTID_0004620
iupac name: 2,5-Dimethylhexane @en
cas number: 592-13-2
pubchem: 11592
notation: 25DC1yC6a
smiles: CC(C)CCC(C)C
formula: C8H18

3-nitrofenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
iupac name: 3-Nitrophenol @en
broader: CHEMONTID_0000141
pubchem: 11137
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=CC(=C1)O)[N+](=O)[O-]
formula: C6H5NO3
cas number: 554-84-7
notation: 3NO2Fol
inchikey: RTZZCYNQPHTPPL-UHFFFAOYSA-N

amitrol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 29212-82-6
cas number: 11121-00-9
cas number: 16681-74-6
cas number: 6051-75-8
cas number: 65312-61-0
cas number: 155-25-9
cas number: 30922-30-6
cas number: 61-82-5
iupac name: 2H-1,2,4-triazol-3-amine @en
smiles: C1=NNC(=N1)N
inchi: InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
formula: C2H4N4
notation: amtl
broader: CHEMONTID_0000099
pubchem: 1639
in scheme: Conceptschema Chemische Stoffen
inchikey: KLSJWNVTNUYHDU-UHFFFAOYSA-N

isopropylanthranilamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CC(C)NC(=O)C1=CC=CC=C1N
iupac name: 2-amino-N-propan-2-ylbenzamide @en
pubchem: 94411
notation: iC3yantnlAd
formula: C10H14N2O
in scheme: Conceptschema Chemische Stoffen
cas number: 30391-89-0
inchikey: FWQYJOPJMIEKHZ-UHFFFAOYSA-N
inchi: InChI=1S/C10H14N2O/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,11H2,1-2H3,(H,12,13)
broader: CHEMONTID_0004413

triethylcitraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: DOOTYTYQINUNNV-UHFFFAOYSA-N
smiles: CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O
cas number: 77-93-0
in scheme: Conceptschema Chemische Stoffen
formula: C12H20O7
pubchem: 6506
notation: TC2ycitt
broader: CHEMONTID_0001986
inchi: InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
iupac name: 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate @en

oxaalzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000346
inchikey: MUBZPKHOEPUJKR-UHFFFAOYSA-N
formula: C2H2O4
cas number: 216451-38-6
cas number: 144-62-7
cas number: 2847-15-6
cas number: 97993-78-7
cas number: 63504-28-9
pubchem: 971
smiles: C(=O)(C(=O)O)O
notation: oxzr
iupac name: oxalic acid @en
inchi: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
in scheme: Conceptschema Chemische Stoffen

diethyleenglycoldinitraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: 2-(2-nitrooxyethoxy)ethyl nitrate @en
pubchem: 61198
inchi: InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2
broader: CHEMONTID_0004091
notation: DC2yegcDNO3
cas number: 693-21-0
cas number: 66492-77-1
in scheme: Conceptschema Chemische Stoffen
formula: C4H8N2O7
inchikey: LYAGTVMJGHTIDH-UHFFFAOYSA-N
smiles: C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]

2-chloor-1,4-dimethylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CC1=CC(=C(C=C1)C)Cl
iupac name: 2-Chloro-1,4-dimethylbenzene @en
cas number: 95-72-7
cas number: 35442-53-6
notation: 2Cl14C1yBen
formula: C8H9Cl
in scheme: Conceptschema Chemische Stoffen
pubchem: 32883
inchi: InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
broader: CHEMONTID_0004211
inchikey: KZNRNQGTVRTDPN-UHFFFAOYSA-N

1-tert-butoxy-2-ethoxyethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: NUNQKTCKURIZQX-UHFFFAOYSA-N
notation: 1tC4ox2C2oxC
iupac name: 2-(2-Ethoxyethoxy)-2-methylpropane @en
pubchem: 40007
smiles: CCOCCOC(C)(C)C
broader: CHEMONTID_0001167
inchi: InChI=1S/C8H18O2/c1-5-9-6-7-10-8(2,3)4/h5-7H2,1-4H3
cas number: 51422-54-9
in scheme: Conceptschema Chemische Stoffen
formula: C8H18O2

tereftaalzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
pubchem: 7489
in scheme: Conceptschema Chemische Stoffen
formula: C8H6O4
cas number: 211863-90-0
cas number: 100-21-0
broader: CHEMONTID_0001108
inchikey: KKEYFWRCBNTPAC-UHFFFAOYSA-N
iupac name: Terephthalic acid @en
smiles: C1=CC(=CC=C1C(=O)O)C(=O)O
notation: terfzr

2-methylhexaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
cas number: 31394-54-4
cas number: 591-76-4
pubchem: 11582
formula: C7H16
notation: 2C1yC6a
inchikey: GXDHCNNESPLIKD-UHFFFAOYSA-N
iupac name: 2-Methylhexane @en
smiles: CCCCC(C)C
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen

2,2',3,3',4,5'-hexachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C12H4Cl6
notation: PCB130
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H4Cl6/c13-5-3-7(10(16)9(15)4-5)6-1-2-8(14)12(18)11(6)17/h1-4H
pubchem: 40473
broader: CHEMONTID_0003030
cas number: 52663-66-8
inchikey: YFSLABAYQDPWPF-UHFFFAOYSA-N
iupac name: 1,2,3-trichloro-4-(2,3,5-trichlorophenyl)benzene @en

ethyldipropylthiocarbamaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CCCN(CCC)C(=O)SCC
in scheme: Conceptschema Chemische Stoffen
notation: EPTC
inchikey: GUVLYNGULCJVDO-UHFFFAOYSA-N
cas number: 759-94-4
pubchem: 12968
inchi: InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3
formula: C9H19NOS
broader: CHEMONTID_0001368
iupac name: S-ethyl (dipropylamino)methanethioate @en

9-hexadeceenzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 10030-73-6
cas number: 2091-29-4
inchikey: SECPZKHBENQXJG-BQYQJAHWSA-N
iupac name: ['(E)-hexadec-9-enoic acid', 'hexadec-9-enoic acid'] @en
pubchem: 5282745
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+
formula: C16H30O2
smiles: CCCCCCC=CCCCCCCCC(=O)O
in scheme: Conceptschema Chemische Stoffen
notation: 9C16ezr
broader: CHEMONTID_0002949

sulfaclozine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 4-amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide @en
cas number: 27890-59-1
cas number: 102-65-8
formula: C10H9ClN4O2S
pubchem: 66890
broader: CHEMONTID_0001925
smiles: C1=CC(=CC=C1N)S(=O)(=O)NC2=CN=CC(=N2)Cl
inchikey: QKLPUVXBJHRFQZ-UHFFFAOYSA-N
inchi: InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)
in scheme: Conceptschema Chemische Stoffen

beryllium 7
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: Be
cas number: 13966-02-4
in scheme: Conceptschema Chemische Stoffen
notation: Be7
smiles: [Be]
inchi: InChI=1S/Be/i1-2
iupac name: beryllium-7 @en
inchikey: ATBAMAFKBVZNFJ-YPZZEJLDSA-N
broader: CHEMONTID_0000428
pubchem: 6335489

3,4,5-trichlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C1=C(C=C(C(=C1Cl)Cl)Cl)N
inchikey: XOGYQVITULCUGU-UHFFFAOYSA-N
notation: 345TClAn
broader: CHEMONTID_0000284
formula: C6H4Cl3N
in scheme: Conceptschema Chemische Stoffen
pubchem: 12469
cas number: 634-91-3
iupac name: 3,4,5-TRICHLOROANILINE @en
inchi: InChI=1S/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2

2,2,6,6-tetrachloorcyclohexanon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 77407
formula: C6H6Cl4O
inchi: InChI=1S/C6H6Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h1-3H2
cas number: 3776-30-5
in scheme: Conceptschema Chemische Stoffen
smiles: C1CC(C(=O)C(C1)(Cl)Cl)(Cl)Cl
iupac name: 2,2,6,6-Tetrachlorocyclohexan-1-one @en
notation: 2266T4ClccC6
broader: CHEMONTID_0004809
inchikey: QCAHVKJGHYVLIS-UHFFFAOYSA-N

3,4-dinitrotolueen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 4-Methyl-1,2-dinitrobenzene @en
inchi: InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
inchikey: INYDMNPNDHRJQJ-UHFFFAOYSA-N
notation: 34DNO2Tol
in scheme: Conceptschema Chemische Stoffen
pubchem: 11883
smiles: CC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
broader: CHEMONTID_0003969
cas number: 610-39-9
formula: C7H6N2O4

acesulfame k
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: acsfm
notation: acsfmeK
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6,7,8);/q;+1/p-1
smiles: CC1=CC(=O)N=S(=O)(O1)[O-].[K+]
formula: C4H4KNO4S
inchikey: JLEKLYQXZHJOTQ-UHFFFAOYSA-M
cas number: 55589-62-3
cas number: 33665-90-6
alternative label: acesulfaam
alternative label: acesulfame K
broader: CHEMONTID_0000265
iupac name: ['potassium 6-methyl-2,2-dioxooxathiazin-4-olate', 'potassium 6-methyl-2,2-dioxo-1-oxa-2$l^{6}-thia-3-azanidacyclohex-5-en-4-one'] @en
pubchem: 45489782

2-methyl-3-pentanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: HYTRYEXINDDXJK-UHFFFAOYSA-N
pubchem: 11265
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Methylpentan-3-one @en
formula: C6H12O
broader: CHEMONTID_0000118
inchi: InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
notation: 2C1y3C5on
smiles: CCC(=O)C(C)C
cas number: 565-69-5

fenoxaprop-p
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 73519-55-8
cas number: 108093-88-5
cas number: 95617-09-7
cas number: 113158-40-0
inchikey: MPPOHAUSNPTFAJ-UHFFFAOYSA-N
inchi: InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)
pubchem: 86134
formula: C16H12ClNO5
alternative label: fenoxaprop-P
notation: fenoxppP
iupac name: 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid @en
broader: CHEMONTID_0004674

undeceenzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: Undec-10-enoic acid @en
cas number: 1333-28-4
cas number: 112-38-9
notation: C11ezr
inchikey: FRPZMMHWLSIFAZ-UHFFFAOYSA-N
formula: C11H20O2
smiles: C=CCCCCCCCCC(=O)O
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
broader: CHEMONTID_0003086
pubchem: 5634
in scheme: Conceptschema Chemische Stoffen

1-propeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004476
cas number: 115-07-1
cas number: 33004-01-2
cas number: 676-63-1
pubchem: 8252
inchi: InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3
smiles: CC=C
in scheme: Conceptschema Chemische Stoffen
notation: 1C3e
inchikey: QQONPFPTGQHPMA-UHFFFAOYSA-N
formula: C3H6
iupac name: prop-1-ene @en

fluquinconazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C16H8Cl2FN5O
inchi: InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H
cas number: 136426-54-5
broader: CHEMONTID_0002314
iupac name: 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one @en
pubchem: 86417
notation: fluqcnzl
inchikey: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

sorbinezuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 22500-92-1
cas number: 91751-55-2
cas number: 110-44-1
cas number: 5309-56-8
broader: CHEMONTID_0003086
inchikey: WSWCOQWTEOXDQX-MQQKCMAXSA-N
inchi: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
iupac name: ['Hexa-2,4-dienoic acid', '(4E)-hexa-2,4-dienoic acid'] @en
pubchem: 643460
notation: sorbnzr
in scheme: Conceptschema Chemische Stoffen
formula: C6H8O2
smiles: CC=CC=CC(=O)O

fenthion-sulfon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)(=O)C
inchikey: ZDHYERRNXRANLI-UHFFFAOYSA-N
broader: CHEMONTID_0004748
iupac name: dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidenephosphorane @en
cas number: 3761-42-0
pubchem: 19578
inchi: InChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3
notation: fentosfn
formula: C10H15O5PS2

posaconazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: poscnzl
formula: C37H42F2N8O4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001984
iupac name: 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one @en
inchi: InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1
pubchem: 468595
cas number: 171228-49-2
inchikey: RAGOYPUPXAKGKH-XAKZXMRKSA-N

cholesta-5,22-dien-3-beta-ol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: chol522Den3b
cas number: 34347-28-9
cas number: 136897-21-7
cas number: 137760-64-6
cas number: 6810-14-6
cas number: 70755-51-0
cas number: 566-89-2
inchi: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-9,18-19,21-25,28H,7,10-17H2,1-5H3/b8-6+/t19-,21+,22+,23?,24+,25+,26+,27-/m1/s1
iupac name: (3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol @en
broader: CHEMONTID_0001469
in scheme: Conceptschema Chemische Stoffen
formula: C27H44O
inchikey: UPGTYLFCVNHBTN-XMLQVSDQSA-N
pubchem: 6441561

didecyldimethylammoniumbromide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C22H48BrN
cas number: 20256-56-8
cas number: 2390-68-3
notation: DDMAB
pubchem: 16957
iupac name: didecyl-dimethylazanium bromide @en
broader: CHEMONTID_0004225
inchi: InChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
inchikey: UMGXUWVIJIQANV-UHFFFAOYSA-M
alternative label: didecyldimethylammonium
smiles: CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]
in scheme: Conceptschema Chemische Stoffen

aluminium (driewaardig)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: REDXJYDRNCIFBQ-UHFFFAOYSA-N
pubchem: 104727
in scheme: Conceptschema Chemische Stoffen
notation: AlIII
iupac name: aluminum(+3) cation @en
cas number: 22537-23-1
formula: Al+3
smiles: [Al+3]
broader: CHEMONTID_0000427
inchi: InChI=1S/Al/q+3

2,2',3,3',4,4',5,5',6-nonachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H
cas number: 53742-07-7
cas number: 40186-72-9
cas number: 55684-91-8
pubchem: 38411
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,4,5-tetrachlorophenyl)benzene @en
notation: PCB206
formula: C12HCl9
inchikey: JFIMDKGRGPNPRQ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030

3-decylacroleine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: ['tridec-2-enal', '(E)-tridec-2-enal'] @en
inchikey: VMUNAKQXJLHODT-VAWYXSNFSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000298
cas number: 7069-41-2
cas number: 7774-82-5
formula: C13H24O
pubchem: 5283363
notation: 3C10yacline
inchi: InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3/b12-11+
smiles: CCCCCCCCCCC=CC=O

alfa-pineen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 103657-08-5
cas number: 72510-05-5
cas number: 25766-18-1
cas number: 2437-95-8
cas number: 53569-35-0
cas number: 67762-73-6
cas number: 80-56-8
cas number: 56833-58-0
cas number: 57762-87-5
cas number: 68411-25-6
cas number: 50815-61-7
cas number: 39423-40-0
cas number: 102640-64-2
cas number: 39388-04-0
formula: C10H16
broader: CHEMONTID_0001564
inchi: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
iupac name: 4,7,7-trimethylbicyclo[3.1.1]hept-3-ene @en
inchikey: GRWFGVWFFZKLTI-UHFFFAOYSA-N
smiles: CC1=CCC2CC1C2(C)C
in scheme: Conceptschema Chemische Stoffen
notation: apnn
pubchem: 6654

gadolinium 153
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: Gd153
in scheme: Conceptschema Chemische Stoffen
inchikey: UIWYJDYFSGRHKR-AHCXROLUSA-N
iupac name: gadolinium-153 @en
formula: Gd
pubchem: 161049
inchi: InChI=1S/Gd/i1-4
cas number: 14276-65-4
smiles: [Gd]
broader: CHEMONTID_0000429

C.I. Acid Red 114
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: ciard114
broader: CHEMONTID_0003370
formula: C37H28N4Na2O10S3
cas number: 6459-94-5
cas number: 25317-45-7
iupac name: disodium (8E)-8-[[2-methyl-4-[3-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]diazenylphenyl]phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonate @en
in scheme: Conceptschema Chemische Stoffen
alternative label: c.i. acid red 114
pubchem: 6321393
inchikey: PVLKQJLDEXCKNY-JYLPYTDFSA-L

celiprolol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea @en
pubchem: 2663
cas number: 56980-93-9
formula: C20H33N3O4
broader: CHEMONTID_0004298
notation: celpll
in scheme: Conceptschema Chemische Stoffen
inchikey: JOATXPAWOHTVSZ-UHFFFAOYSA-N
inchi: InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)

ethyl-2-methylbenzeensulfonamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
iupac name: N-Ethyl-2-methylbenzenesulfonamide @en
notation: C2y2C1yBensf
broader: CHEMONTID_0000031
formula: C9H13NO2S
cas number: 1077-56-1
smiles: CCNS(=O)(=O)C1=CC=CC=C1C
inchikey: NATWUQFQFMZVMT-UHFFFAOYSA-N
pubchem: 14110

profenofos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: QYMMJNLHFKGANY-UHFFFAOYSA-N
cas number: 61287-51-2
cas number: 61230-42-0
cas number: 81116-98-5
cas number: 41198-08-7
cas number: 81123-19-5
broader: CHEMONTID_0004742
iupac name: 4-bromo-2-chloro-1-(ethoxy-propylsulfanylphosphoryl)oxybenzene @en
pubchem: 38779
smiles: CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl
notation: profnfs
in scheme: Conceptschema Chemische Stoffen
formula: C11H15BrClO3PS

tetramethylbutaandinitril
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 18745
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3
formula: C8H12N2
inchikey: ZVQXQPNJHRNGID-UHFFFAOYSA-N
cas number: 3333-52-6
smiles: CC(C)(C#N)C(C)(C)C#N
broader: CHEMONTID_0000362
notation: T4C1yC4aDntl
iupac name: 2,2,3,3-Tetramethylbutanedinitrile @en

2,2',3,5',6-pentachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16)12(11)17/h1-5H
iupac name: 1,2,4-trichloro-3-(2,5-dichlorophenyl)benzene @en
inchikey: GXNNLIMMEXHBKV-UHFFFAOYSA-N
cas number: 38379-99-6
broader: CHEMONTID_0003030
notation: PCB95
pubchem: 38012

cyclohexanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
inchikey: HPXRVTGHNJAIIH-UHFFFAOYSA-N
pubchem: 7966
cas number: 108-93-0
smiles: C1CCC(CC1)O
broader: CHEMONTID_0002647
formula: C6H12O
notation: cycC6ol
iupac name: Cyclohexanol @en

lambda-cyhalothrin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: lcyhltn
inchikey: ZXQYGBMAQZUVMI-QQDHXZELSA-N
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate @en
pubchem: 6435500
broader: CHEMONTID_0001461
cas number: 91465-08-6
formula: C23H19ClF3NO3

tebutam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: tebtm
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
broader: CHEMONTID_0002279
cas number: 35256-85-0
iupac name: 2,2-dimethyl-N-(phenylmethyl)-N-propan-2-ylpropanamide @en
formula: C15H23NO
pubchem: 92299
inchikey: RJKCKKDSSSRYCB-UHFFFAOYSA-N
smiles: CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C

leptofos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 73307-66-1
cas number: 73307-67-2
cas number: 73270-49-2
cas number: 21609-90-5
in scheme: Conceptschema Chemische Stoffen
notation: leptfs
iupac name: (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidenephosphorane @en
inchikey: CVRALZAYCYJELZ-UHFFFAOYSA-N
formula: C13H10BrCl2O2PS
broader: CHEMONTID_0004767
pubchem: 30709

benzamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 27208-38-4
cas number: 55-21-0
inchi: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
formula: C7H7NO
smiles: C1=CC=C(C=C1)C(=O)N
pubchem: 2331
broader: CHEMONTID_0000178
inchikey: KXDAEFPNCMNJSK-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: Benzamide @en
notation: benzAd

1,2,4,5-tetramethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 7269
broader: CHEMONTID_0002279
iupac name: 1,2,4,5-Tetramethylbenzene @en
smiles: CC1=CC(=C(C=C1C)C)C
in scheme: Conceptschema Chemische Stoffen
inchikey: SQNZJJAZBFDUTD-UHFFFAOYSA-N
notation: 1245T4C1yBen
inchi: InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3
formula: C10H14
cas number: 95-93-2

4-terpineol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 28219-82-1
cas number: 1336-05-6
cas number: 562-74-3
inchikey: WRYLYDPHFGVWKC-UHFFFAOYSA-N
broader: CHEMONTID_0001401
inchi: InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3
smiles: CC1=CCC(CC1)(C(C)C)O
pubchem: 11230
formula: C10H18O
iupac name: 4-methyl-1-propan-2-ylcyclohex-3-en-1-ol @en
notation: 4terpnol

meclozine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3
formula: C25H27ClN2
inchikey: OCJYIGYOJCODJL-UHFFFAOYSA-N
iupac name: 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine @en
notation: meczne
broader: CHEMONTID_0000369
pubchem: 4034
cas number: 569-65-3

heptachloornaftaleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,4,5,6,8-Heptachloronaphthalene @en
notation: HpClNaf
inchikey: QYEGXUUXWMKHHS-UHFFFAOYSA-N
formula: C10HCl7
pubchem: 36093
cas number: 26444-37-1
cas number: 58863-15-3
cas number: 32241-08-0
broader: CHEMONTID_0004794
inchi: InChI=1S/C10HCl7/c11-2-1-3(12)6(13)5-4(2)7(14)9(16)10(17)8(5)15/h1H

diepoxybutaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 2-(oxiran-2-yl)oxirane @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000159
cas number: 298-18-0
cas number: 1464-53-5
notation: DepOxC4a
smiles: C1C(O1)C2CO2
formula: C4H6O2
pubchem: 11254
inchi: InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
inchikey: ZFIVKAOQEXOYFY-UHFFFAOYSA-N

oxamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: C(=O)(C(=O)N)N
iupac name: OXAMIDE @en
broader: CHEMONTID_0000060
inchikey: YIKSCQDJHCMVMK-UHFFFAOYSA-N
notation: OaAd
cas number: 4745-68-0
cas number: 471-46-5
formula: C2H4N2O2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
pubchem: 10113

mepiquatchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000195
smiles: C[N+]1(CCCCC1)C.[Cl-]
alternative label: mepiquat
notation: mepqat
notation: mepqCl
in scheme: Conceptschema Chemische Stoffen
cas number: 24307-26-4
cas number: 15302-91-7
iupac name: 1,1-dimethylpiperidin-1-ium chloride @en
formula: C7H16ClN
inchikey: VHOVSQVSAAQANU-UHFFFAOYSA-M
inchi: InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1
pubchem: 62781

atraton
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0004734
in scheme: Conceptschema Chemische Stoffen
iupac name: N'-ethyl-6-methoxy-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
formula: C9H17N5O
pubchem: 15359
inchikey: PXWUKZGIHQRDHL-UHFFFAOYSA-N
cas number: 1610-17-9
notation: attn
inchi: InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
smiles: CCNC1=NC(=NC(=N1)OC)NC(C)C

diisoundecylftalaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
formula: C30H50O4
broader: CHEMONTID_0001350
pubchem: 175686
alternative label: di-isoundecylftalaat (mix van isomeren)
inchikey: LGBAGUMSAPUZPU-UHFFFAOYSA-N
inchi: InChI=1S/C30H50O4/c1-25(2)19-13-9-5-7-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-8-6-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3
iupac name: bis(9-methyldecyl) benzene-1,2-dicarboxylate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 96507-86-7
notation: DiC11yFt

norfludiazepam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one @en
formula: C15H10ClFN2O
notation: norfDazpm
in scheme: Conceptschema Chemische Stoffen
cas number: 2886-65-9
broader: CHEMONTID_0004097
inchikey: UVCOILFBWYKHHB-UHFFFAOYSA-N
inchi: InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
pubchem: 4540

4-methoxy-2-nitroaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: QFMJFXFXQAFGBO-UHFFFAOYSA-N
formula: C7H8N2O3
notation: 4C1ox2NO2An
iupac name: 4-Methoxy-2-nitroaniline @en
pubchem: 66793
inchi: InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
in scheme: Conceptschema Chemische Stoffen
cas number: 96-96-8
smiles: COC1=CC(=C(C=C1)N)[N+](=O)[O-]
broader: CHEMONTID_0004671

2,2-dimethoxybutaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2-Dimethoxybutane @en
smiles: CCC(C)(OC)OC
formula: C6H14O2
inchikey: OXQHJIGWZNIQDS-UHFFFAOYSA-N
inchi: InChI=1S/C6H14O2/c1-5-6(2,7-3)8-4/h5H2,1-4H3
broader: CHEMONTID_0004472
cas number: 3453-99-4
notation: 22DC1oxC4a
pubchem: 137941

pentadecanal
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3
formula: C15H30O
in scheme: Conceptschema Chemische Stoffen
inchikey: XGQJZNCFDLXSIJ-UHFFFAOYSA-N
iupac name: Pentadecanal @en
broader: CHEMONTID_0000298
cas number: 2765-11-9
smiles: CCCCCCCCCCCCCCC=O
pubchem: 17697
notation: C15al

endosulfanether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: CKPWHXBGVRURFU-UHFFFAOYSA-N
pubchem: 97768
broader: CHEMONTID_0002648
iupac name: 1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene @en
cas number: 3369-52-6
notation: endsfetr
formula: C9H6Cl6O
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H6Cl6O/c10-5-6(11)8(13)4-2-16-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2

benzeensulfonanilide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: Bensfanlde
cas number: 1678-25-7
inchi: InChI=1S/C12H11NO2S/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H
smiles: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2
iupac name: N-Phenylbenzenesulfonamide @en
pubchem: 74296
inchikey: XAUGWFWQVYXATQ-UHFFFAOYSA-N
broader: CHEMONTID_0000038
in scheme: Conceptschema Chemische Stoffen
formula: C12H11NO2S

4-chloorfenyl fenylsulfon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 80-00-2
cas number: 8012-45-1
pubchem: 6621
in scheme: Conceptschema Chemische Stoffen
notation: 4ClFyFysfn
formula: C12H9ClO2S
inchi: InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
inchikey: OFCFYWOKHPOXKF-UHFFFAOYSA-N
broader: CHEMONTID_0004233
iupac name: 1-chloro-4-phenylsulfonylbenzene @en
smiles: C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl

zink 65
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000426
inchikey: HCHKCACWOHOZIP-IGMARMGPSA-N
notation: Zn65
in scheme: Conceptschema Chemische Stoffen
pubchem: 91574
smiles: [Zn]
cas number: 13982-39-3
inchi: InChI=1S/Zn/i1+0
formula: Zn
iupac name: zinc-65 @en

glutaaraldehyde
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002434
cas number: 37245-61-7
cas number: 107950-89-0
cas number: 111-30-8
cas number: 79215-57-9
cas number: 29257-65-6
iupac name: Pentanedial @en
inchikey: SXRSQZLOMIGNAQ-UHFFFAOYSA-N
formula: C5H8O2
in scheme: Conceptschema Chemische Stoffen
pubchem: 3485
inchi: InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
notation: glutAh
smiles: C(CC=O)CC=O

tolylfluanide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C10H13Cl2FN2O2S2
notation: tolfande
cas number: 731-27-1
broader: CHEMONTID_0000038
inchikey: HYVWIQDYBVKITD-UHFFFAOYSA-N
pubchem: 12898
iupac name: N-(dichloro-fluoromethyl)sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline @en

isofenfos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: HOQADATXFBOEGG-UHFFFAOYSA-N
broader: CHEMONTID_0001350
cas number: 25311-71-1
cas number: 103982-07-6
cas number: 61711-63-5
cas number: 103982-06-5
cas number: 52907-24-1
in scheme: Conceptschema Chemische Stoffen
formula: C15H24NO4PS
inchi: InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)
notation: iffs
iupac name: propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate @en
pubchem: 32872
smiles: CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C

guaiene
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 88-84-6
cas number: 34766-41-1
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene @en
broader: CHEMONTID_0001550
inchikey: GIBQERSGRNPMEH-UHFFFAOYSA-N
pubchem: 6949
notation: guaiene
smiles: CC1CCC(=C(C)C)CC2=C1CCC2C
formula: C15H24
inchi: InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3

2-methyl-2-butanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 2-Methylbutan-2-ol @en
notation: 2C1y2C4ol
broader: CHEMONTID_0001670
formula: C5H12O
inchikey: MSXVEPNJUHWQHW-UHFFFAOYSA-N
cas number: 75-85-4
in scheme: Conceptschema Chemische Stoffen
smiles: CCC(C)(C)O
inchi: InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
pubchem: 6405

isazofos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 65357-77-9
cas number: 42509-80-8
cas number: 57425-06-6
formula: C9H17ClN3O3PS
inchikey: XRHGWAGWAHHFLF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004623
pubchem: 39223
iupac name: (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidenephosphorane @en
notation: iszfs
smiles: CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C

trans-geranylaceton
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 689-67-8
cas number: 3796-70-1
cas number: 68228-05-7
broader: CHEMONTID_0001127
inchi: InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
in scheme: Conceptschema Chemische Stoffen
formula: C13H22O
iupac name: ['(5E)-6,10-dimethylundeca-5,9-dien-2-one', '6,10-Dimethylundeca-5,9-dien-2-one'] @en
pubchem: 1549778
inchikey: HNZUNIKWNYHEJJ-FMIVXFBMSA-N
notation: tganactn
smiles: CC(=CCCC(=CCCC(=O)C)C)C

1,2,3,4,7,9-hexachloordibenzofuraan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: PCDF119
iupac name: 1,2,3,4,7,9-HEXACHLORODIBENZOFURAN @en
in scheme: Conceptschema Chemische Stoffen
formula: C12H2Cl6O
inchi: InChI=1S/C12H2Cl6O/c13-3-1-4(14)6-5(2-3)19-12-7(6)8(15)9(16)10(17)11(12)18/h1-2H
broader: CHEMONTID_0003029
pubchem: 56262
cas number: 91538-84-0
inchikey: BKIXWRBZCQEZAQ-UHFFFAOYSA-N

2-morfoline(thio)benzothiazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 40860-79-5
cas number: 31440-29-6
cas number: 108251-60-1
cas number: 102-77-2
cas number: 35309-99-0
broader: CHEMONTID_0000311
inchikey: MHKLKWCYGIBEQF-UHFFFAOYSA-N
notation: 2mflntobztaz
smiles: C1COCCN1SC2=NC3=CC=CC=C3S2
pubchem: 7619
inchi: InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2
formula: C11H12N2OS2
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-morpholin-4-ylsulfanyl-1,3-benzothiazole @en

1-indanon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: C1CC(=O)C2=CC=CC=C21
in scheme: Conceptschema Chemische Stoffen
pubchem: 6735
inchikey: QNXSIUBBGPHDDE-UHFFFAOYSA-N
cas number: 30286-23-8
cas number: 83-33-0
inchi: InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
formula: C9H8O
iupac name: 2,3-dihydroinden-1-one @en
broader: CHEMONTID_0001151
notation: 1indnn

1-aminodecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCN
cas number: 2016-57-1
pubchem: 8916
notation: 1AoC10a
broader: CHEMONTID_0000469
iupac name: decan-1-amine @en
inchi: InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3
inchikey: MHZGKXUYDGKKIU-UHFFFAOYSA-N
formula: C10H23N

dijodium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: I2
pubchem: 807
cas number: 24503-90-0
cas number: 8012-81-5
cas number: 7553-56-2
cas number: 8031-47-8
cas number: 8012-85-9
smiles: II
formula: I2
broader: CHEMONTID_0000432
inchi: InChI=1S/I2/c1-2
in scheme: Conceptschema Chemische Stoffen
inchikey: PNDPGZBMCMUPRI-UHFFFAOYSA-N
iupac name: Molecular iodine @en

metalaxyl metaboliet cga 62826
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004148
alternative label: metalaxyl metaboliet CGA 62826
inchikey: ZRIKZVLHMGYCIR-NSHDSACASA-N
cas number: 87764-37-2
iupac name: (2S)-2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoic acid @en
notation: mlxlMC62826
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)/t11-/m0/s1
formula: C14H19NO4
pubchem: 159151
smiles: CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)C(=O)COC

ethyl dimethylcarbamaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CCOC(=O)N(C)C
broader: CHEMONTID_0001162
notation: C2yDC1ycbmt
in scheme: Conceptschema Chemische Stoffen
pubchem: 12709
iupac name: Ethyl N,N-dimethylcarbamate @en
inchikey: SUDHEDJJFGYYPL-UHFFFAOYSA-N
formula: C5H11NO2
cas number: 687-48-9
inchi: InChI=1S/C5H11NO2/c1-4-8-5(7)6(2)3/h4H2,1-3H3

2-methylindol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0002497
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Methyl-1H-indole @en
notation: 2C1yidl
cas number: 95-20-5
inchi: InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
smiles: CC1=CC2=CC=CC=C2N1
pubchem: 7224
inchikey: BHNHHSOHWZKFOX-UHFFFAOYSA-N
formula: C9H9N

methadon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 4095
cas number: 297-88-1
cas number: 76-99-3
cas number: 125-58-6
cas number: 5653-80-5
broader: CHEMONTID_0000369
iupac name: 6-dimethylamino-4,4-di(phenyl)heptan-3-one @en
formula: C21H27NO
notation: metdn
inchikey: USSIQXCVUWKGNF-UHFFFAOYSA-N
inchi: InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3

benzyldimethylhexadecylammoniumchloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: SXPWTBGAZSPLHA-UHFFFAOYSA-M
formula: C25H46ClN
cas number: 122-18-9
cas number: 10328-34-4
cas number: 89004-36-4
cas number: 60484-28-8
inchi: InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1
in scheme: Conceptschema Chemische Stoffen
iupac name: benzyl-hexadecyl-dimethylazanium chloride @en
notation: benzDC1yC16y
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
broader: CHEMONTID_0003977
pubchem: 31202

ozon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: [O-][O+]=O
formula: O3
inchikey: CBENFWSGALASAD-UHFFFAOYSA-N
inchi: InChI=1S/O3/c1-3-2
cas number: 74087-86-8
cas number: 10028-15-6
notation: ozn
iupac name: OZONE @en
pubchem: 24823
broader: CHEMONTID_0000554
in scheme: Conceptschema Chemische Stoffen

chloortrifluormethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0004521
cas number: 75-72-9
cas number: 185009-43-2
inchi: InChI=1S/CClF3/c2-1(3,4)5
formula: CClF3
iupac name: chloro-trifluoromethane @en
pubchem: 6392
in scheme: Conceptschema Chemische Stoffen
inchikey: AFYPFACVUDMOHA-UHFFFAOYSA-N
smiles: C(F)(F)(F)Cl
notation: CFK13

sulfadimidine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
alternative label: sulfamethazine
notation: sulfdmdne
broader: CHEMONTID_0001925
iupac name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide @en
inchi: InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
inchikey: ASWVTGNCAZCNNR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C12H14N4O2S
cas number: 57-68-1
pubchem: 5327

perfluorethylethanol 4:2
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 74883
inchikey: JCMNMOBHVPONLD-UHFFFAOYSA-N
smiles: C(CO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
notation: 42FTOH
in scheme: Conceptschema Chemische Stoffen
formula: C6H5F9O
broader: CHEMONTID_0003967
inchi: InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
iupac name: 3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol @en
cas number: 2043-47-2

2-methylindeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CC1=CC2=CC=CC=C2C1
cas number: 2177-47-1
formula: C10H10
inchikey: YSAXEHWHSLANOM-UHFFFAOYSA-N
notation: 2C1idn
iupac name: 2-METHYL-1H-INDENE @en
broader: CHEMONTID_0000021
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H10/c1-8-6-9-4-2-3-5-10(9)7-8/h2-6H,7H2,1H3
pubchem: 16587

5-methyltetralin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C11H14/c1-9-5-4-7-10-6-2-3-8-11(9)10/h4-5,7H,2-3,6,8H2,1H3
inchikey: YXOVIGZJPGLNGM-UHFFFAOYSA-N
notation: 5C1yT4lne
formula: C11H14
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C2CCCCC2=CC=C1
cas number: 2809-64-5
pubchem: 17768
broader: CHEMONTID_0000048
iupac name: 5-methyl-1,2,3,4-tetrahydronaphthalene @en

ijzer(III)chloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: Cl[Fe](Cl)Cl
formula: Cl3Fe
inchikey: RBTARNINKXHZNM-UHFFFAOYSA-K
broader: CHEMONTID_0000588
inchi: InChI=1S/3ClH.Fe/h3*1H;/q;;;+3/p-3
notation: FeCl3
cas number: 12178-83-5
cas number: 130622-20-7
cas number: 7705-08-0
cas number: 12040-57-2
iupac name: ['trichloroiron', 'iron(+3) cation trichloride'] @en
pubchem: 24380
alternative label: ijzer(iii)chloride

2,3-dichloorfenylisocyanaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 33050
iupac name: 1,2-Dichloro-3-isocyanatobenzene @en
formula: C7H3Cl2NO
inchi: InChI=1S/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564
smiles: C1=CC(=C(C(=C1)Cl)Cl)N=C=O
cas number: 41195-90-8
cas number: 25550-53-2
notation: 23DClFyiCN
inchikey: FYWJWWMKCARWQG-UHFFFAOYSA-N

4,5-dichloor-3H-1,2-dithiool-3-on
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
alternative label: 4,5-dichloor-3h-1,2-dithiool-3-on
broader: CHEMONTID_0001030
cas number: 1192-52-5
inchi: InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6
pubchem: 14503
inchikey: QGSRKGWCQSATCL-UHFFFAOYSA-N
iupac name: 4,5-dichlorodithiol-3-one @en
notation: 45DCl3H12Dto
smiles: C1(=C(SSC1=O)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
formula: C3Cl2OS2

3-amino-1-propeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000469
cas number: 71550-12-4
cas number: 107-11-9
cas number: 30551-89-4
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
notation: 3Ao1C3e
pubchem: 7853
iupac name: prop-2-en-1-amine @en
inchikey: VVJKKWFAADXIJK-UHFFFAOYSA-N
formula: C3H7N
smiles: C=CCN

chrysotiel (witte asbest)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000921
notation: chrystl
cas number: 61076-97-9
cas number: 12001-29-5
pubchem: 25477
smiles: O.O[Si]([O-])([O-])[O-].O[Si]([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
inchi: InChI=1S/3Mg.2HO4Si.H2O/c;;;2*1-5(2,3)4;/h;;;2*1H;1H2/q3*+2;2*-3;
iupac name: trimagnesium hydroxy-trioxidosilane hydrate @en
formula: H4Mg3O9Si2
in scheme: Conceptschema Chemische Stoffen
inchikey: CWBIFDGMOSWLRQ-UHFFFAOYSA-N

francium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: FRANCIUM @en
inchi: InChI=1S/Fr
formula: Fr
cas number: 7440-73-5
inchikey: KLMCZVJOEAUDNE-UHFFFAOYSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: Fr
smiles: [Fr]
pubchem: 6328145

1,2-benzothiazool-3-on
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 54392-14-2
cas number: 75037-67-1
cas number: 40991-37-5
cas number: 101964-01-6
cas number: 2634-33-5
inchi: InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 12benztaz3o
inchikey: DMSMPAJRVJJAGA-UHFFFAOYSA-N
iupac name: 1,2-benzothiazol-3-one @en
pubchem: 17520
smiles: C1=CC=C2C(=C1)C(=O)NS2
formula: C7H5NOS

ethoxychine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C14H19NO
broader: CHEMONTID_0001716
inchi: InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
cas number: 63301-91-7
cas number: 91-53-2
cas number: 8047-04-9
cas number: 8047-14-1
iupac name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline @en
notation: etxcne
inchikey: DECIPOUIJURFOJ-UHFFFAOYSA-N
pubchem: 3293
smiles: CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C

4-(1-hydroxy-1-methylethyl)-acetofenon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0004298
notation: 41HOx1C1yC2y
inchi: InChI=1S/C11H14O2/c1-8(12)9-4-6-10(7-5-9)11(2,3)13/h4-7,13H,1-3H3
pubchem: 41122
in scheme: Conceptschema Chemische Stoffen
smiles: CC(=O)C1=CC=C(C=C1)C(C)(C)O
inchikey: KWWWFTBWCKTBQI-UHFFFAOYSA-N
formula: C11H14O2
cas number: 54549-72-3
iupac name: 1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone @en

rotenon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 6758
cas number: 12679-58-2
cas number: 83-79-4
inchikey: JUVIOZPCNVVQFO-HBGVWJBISA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
notation: rotnn
formula: C23H22O6
broader: CHEMONTID_0003528
iupac name: (1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one @en

2-propylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 644-35-9
pubchem: 12570
notation: 2C3yFol
smiles: CCCC1=CC=CC=C1O
iupac name: 2-Propylphenol @en
broader: CHEMONTID_0002811
formula: C9H12O
inchikey: LCHYEKKJCUJAKN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3

pentanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CCCCCO
cas number: 71-41-0
notation: C5ol
inchikey: AMQJEAYHLZJPGS-UHFFFAOYSA-N
inchi: InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
broader: CHEMONTID_0000286
in scheme: Conceptschema Chemische Stoffen
formula: C5H12O
iupac name: Pentan-1-ol @en
pubchem: 6276

ethylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 43031-21-6
cas number: 85404-22-4
cas number: 75-04-7
cas number: 85404-16-6
inchi: InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
broader: CHEMONTID_0000469
iupac name: Ethanamine @en
in scheme: Conceptschema Chemische Stoffen
formula: C2H7N
smiles: CCN
notation: C2yAe
inchikey: QUSNBJAOOMFDIB-UHFFFAOYSA-N
pubchem: 6341

2-chloornaftaleen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: 2-CHLORONAPHTHALENE @en
inchikey: CGYGETOMCSJHJU-UHFFFAOYSA-N
smiles: C1=CC=C2C=C(C=CC2=C1)Cl
notation: 2ClNaf
broader: CHEMONTID_0004794
inchi: InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
formula: C10H7Cl
cas number: 91-58-7
pubchem: 7056
in scheme: Conceptschema Chemische Stoffen

2-nitropropaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 104306-46-9
cas number: 79-46-9
inchikey: FGLBSLMDCBOPQK-UHFFFAOYSA-N
broader: CHEMONTID_0004117
smiles: CC(C)[N+](=O)[O-]
in scheme: Conceptschema Chemische Stoffen
pubchem: 398
notation: 2NO2C3a
formula: C3H7NO2
inchi: InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
iupac name: ['2-nitropropane', 'N-oxido-N-propan-2-ylhydroxylamine', 'N,N-dihydroxypropan-2-amine'] @en

som dodecylfenol-isomeren
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C18H30O
cas number: 27193-86-8
notation: sC12yFol
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004647
inchi: InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12-13,15-16,19H,2-11,14H2,1H3
smiles: CCCCCCCCCCCCC1=CC=CC=C1O
pubchem: 171144
iupac name: 2-Dodecylphenol @en
inchikey: CYEJMVLDXAUOPN-UHFFFAOYSA-N

3,5-dimethylaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3
smiles: CC1=CC(=CC(=C1)N)C
in scheme: Conceptschema Chemische Stoffen
inchikey: MKARNSWMMBGSHX-UHFFFAOYSA-N
cas number: 108-69-0
iupac name: 3,5-Dimethylaniline @en
pubchem: 7949
broader: CHEMONTID_0004209
formula: C8H11N
notation: 35DC1yAn

dichloor(methylsulfonyl)methaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: dichloromethylsulfonylmethane @en
inchi: InChI=1S/C2H4Cl2O2S/c1-7(5,6)2(3)4/h2H,1H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 101258
broader: CHEMONTID_0000505
formula: C2H4Cl2O2S
inchikey: QMMFBGBMARGVFC-UHFFFAOYSA-N
notation: DClC1ysfnC1a
smiles: CS(=O)(=O)C(Cl)Cl
cas number: 37557-96-3

2-methylnaftaleen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 7055
notation: 2C1yNaf
broader: CHEMONTID_0000023
inchikey: QIMMUPPBPVKWKM-UHFFFAOYSA-N
smiles: CC1=CC2=CC=CC=C2C=C1
cas number: 7419-61-6
cas number: 91-57-6
iupac name: 2-Methylnaphthalene @en
formula: C11H10

bisfenol A diglycidylether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 116161-20-7
cas number: 170962-54-6
cas number: 500008-19-5
cas number: 47424-12-4
cas number: 1675-54-3
cas number: 85101-00-4
in scheme: Conceptschema Chemische Stoffen
alternative label: bisfenol a diglycidylether
pubchem: 2286
inchikey: LCFVJGUPQDGYKZ-UHFFFAOYSA-N
notation: bisFolADgcdE
broader: CHEMONTID_0000369
inchi: InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3
iupac name: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane @en
formula: C21H24O4

nitralin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: UMKANAFDOQQUKE-UHFFFAOYSA-N
broader: CHEMONTID_0003968
iupac name: 4-methylsulfonyl-2,6-dinitro-N,N-dipropylaniline @en
pubchem: 20848
inchi: InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3
cas number: 4726-14-1
in scheme: Conceptschema Chemische Stoffen
smiles: CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]
notation: nitln
formula: C13H19N3O6S

diethofencarb
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: Detfcb
iupac name: propan-2-yl N-(3,4-diethoxyphenyl)carbamate @en
pubchem: 91742
inchikey: LNJNFVJKDJYTEU-UHFFFAOYSA-N
formula: C14H21NO4
inchi: InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)
smiles: CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC
in scheme: Conceptschema Chemische Stoffen
cas number: 87130-20-9
broader: CHEMONTID_0004714

tribroomazijnzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C2Br3O2-
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2,2-tribromoacetate @en
broader: CHEMONTID_0003000
notation: TBrHAc
pubchem: 6414
inchikey: QIONYIKHPASLHO-UHFFFAOYSA-M
inchi: InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1
cas number: 75-96-7
smiles: C(=O)(C(Br)(Br)Br)[O-]

4-isopropylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
broader: CHEMONTID_0000355
inchikey: YQUQWHNMBPIWGK-UHFFFAOYSA-N
pubchem: 7465
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)C1=CC=C(C=C1)O
cas number: 99-89-8
iupac name: 4-propan-2-ylphenol @en
formula: C9H12O
notation: 4iC3yFol

3,4-dimethylaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 7248
cas number: 95-64-7
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
formula: C8H11N
smiles: CC1=C(C=C(C=C1)N)C
notation: 34DC1yAn
iupac name: 3,4-Dimethylaniline @en
inchikey: DOLQYFPDPKPQSS-UHFFFAOYSA-N
broader: CHEMONTID_0004210

1,2-diaminobenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: benzene-1,2-diamine @en
inchikey: GEYOCULIXLDCMW-UHFFFAOYSA-N
inchi: InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C(=C1)N)N
notation: 12DAoBen
pubchem: 7243
broader: CHEMONTID_0000284
formula: C6H8N2
cas number: 95-54-5

2-chloor-6-methylfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 87-64-9
inchikey: YPNZJHFXFVLXSE-UHFFFAOYSA-N
iupac name: 2-Chloro-6-methylphenol @en
inchi: InChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3
formula: C7H7ClO
notation: 2Cl6C1yFol
broader: CHEMONTID_0001274
pubchem: 6898
smiles: CC1=C(C(=CC=C1)Cl)O
in scheme: Conceptschema Chemische Stoffen

quinclorac
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)
cas number: 113875-40-4
cas number: 84087-01-4
inchikey: FFSSWMQPCJRCRV-UHFFFAOYSA-N
pubchem: 91739
formula: C10H5Cl2NO2
broader: CHEMONTID_0002552
notation: quincrc
iupac name: 3,7-Dichloroquinoline-8-carboxylic acid @en
smiles: C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl
in scheme: Conceptschema Chemische Stoffen

prosulfuron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 91751
cas number: 94125-34-5
notation: prosfrn
broader: CHEMONTID_0000031
formula: C15H16F3N5O4S
inchikey: LTUNNEGNEKBSEH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea @en

n,n-dimethyldecanamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C12H25NO
cas number: 14433-76-2
broader: CHEMONTID_0001096
notation: NNDC1yC10aAd
pubchem: 26690
smiles: CCCCCCCCCC(=O)N(C)C
inchi: InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3
inchikey: HNXNKTMIVROLTK-UHFFFAOYSA-N
iupac name: N,N-Dimethyldecanamide @en
alternative label: N,N-dimethyldecanamide

zolpidem
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: zolpdm
iupac name: N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[3,2-a]pyridin-3-yl]acetamide @en
broader: CHEMONTID_0002327
pubchem: 5732
in scheme: Conceptschema Chemische Stoffen
formula: C19H21N3O
cas number: 82626-48-0
inchikey: ZAFYATHCZYHLPB-UHFFFAOYSA-N
inchi: InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3

terbium 160
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: GZCRRIHWUXGPOV-OUBTZVSYSA-N
iupac name: terbium-160 @en
pubchem: 161008
formula: Tb
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Tb/i1+1
cas number: 13981-29-8
smiles: [Tb]
notation: Tb160
broader: CHEMONTID_0000429

monochloorpentafluorethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 1-Chloro-1,1,2,2,2-pentafluoroethane @en
notation: CFK115
cas number: 12770-91-1
cas number: 76-15-3
broader: CHEMONTID_0004521
pubchem: 6430
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8
inchikey: RFCAUADVODFSLZ-UHFFFAOYSA-N
formula: C2ClF5
smiles: C(C(F)(F)Cl)(F)(F)F

n(4)-acetylsulfadiazine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: N(4)-acetylsulfadiazine
inchi: InChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)
in scheme: Conceptschema Chemische Stoffen
pubchem: 64952
cas number: 127-74-2
cas number: 5572-57-6
formula: C12H12N4O3S
notation: N4actsfdazne
broader: CHEMONTID_0000031
iupac name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide @en
inchikey: NJIZUWGMNCUKGU-UHFFFAOYSA-N

sulfallaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: XJCLWVXTCRQIDI-UHFFFAOYSA-N
pubchem: 7216
in scheme: Conceptschema Chemische Stoffen
formula: C8H14ClNS2
iupac name: 2-chloroprop-2-enyl diethylaminomethanedithioate @en
inchi: InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3
notation: sulfalt
cas number: 95-06-7
smiles: CCN(CC)C(=S)SCC(=C)Cl
broader: CHEMONTID_0003936

koperoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: CuO
pubchem: 14829
iupac name: oxocopper @en
smiles: O=[Cu]
cas number: 185461-92-1
cas number: 1317-38-0
formula: CuO
broader: CHEMONTID_0000538
inchi: InChI=1S/Cu.O
in scheme: Conceptschema Chemische Stoffen
inchikey: QPLDLSVMHZLSFG-UHFFFAOYSA-N

oxymetazoline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1491-59-4
notation: Oxmtzlne
inchikey: WYWIFABBXFUGLM-UHFFFAOYSA-N
pubchem: 4636
inchi: InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
smiles: CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C
in scheme: Conceptschema Chemische Stoffen
formula: C16H24N2O
iupac name: 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol @en
broader: CHEMONTID_0004212

thorium 230
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000430
inchikey: ZSLUVFAKFWKJRC-YPZZEJLDSA-N
pubchem: 61723
inchi: InChI=1S/Th/i1-2
iupac name: thorium-230 @en
in scheme: Conceptschema Chemische Stoffen
cas number: 14269-63-7
formula: Th
notation: Th230
smiles: [Th]

ethaanthiol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C2H6S
notation: C2atol
pubchem: 6343
cas number: 811-51-8
cas number: 75-08-1
broader: CHEMONTID_0001212
iupac name: Ethanethiol @en
inchikey: DNJIEGIFACGWOD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3
smiles: CCS

perfluor-3,5-dioxahexaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: C(=O)(C(OC(OC(F)(F)F)(F)F)(F)F)O
in scheme: Conceptschema Chemische Stoffen
pubchem: 138394354
iupac name: 2-[difluoro(trifluoromethoxy)methoxy]-2,2-difluoroacetic acid @en
inchi: InChI=1S/C4HF7O4/c5-2(6,1(12)13)14-4(10,11)15-3(7,8)9/h(H,12,13)
broader: CHEMONTID_0003000
inchikey: GCSHTDCBGCURHU-UHFFFAOYSA-N
notation: PFO2HxA
cas number: 39492-88-1
formula: C4HF7O4

2-pentanon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 107-87-9
cas number: 27154-67-2
formula: C5H10O
inchi: InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
smiles: CCCC(=O)C
in scheme: Conceptschema Chemische Stoffen
inchikey: XNLICIUVMPYHGG-UHFFFAOYSA-N
broader: CHEMONTID_0000118
pubchem: 7895
iupac name: Pentan-2-one @en
notation: 2C5on

tetracosaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
pubchem: 12592
notation: C24a
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
cas number: 646-31-1
iupac name: Tetracosane @en
inchikey: POOSGDOYLQNASK-UHFFFAOYSA-N
formula: C24H50
smiles: CCCCCCCCCCCCCCCCCCCCCCCC

terbufos-sulfoxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: terbfSO
inchi: InChI=1S/C9H21O3PS3/c1-6-11-13(14,12-7-2)15-8-16(10)9(3,4)5/h6-8H2,1-5H3
formula: C9H21O3PS3
inchikey: KKOYBOFPUBHPFO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: tert-butylsulfinylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
smiles: CCOP(=S)(OCC)SCS(=O)C(C)(C)C
broader: CHEMONTID_0004164
cas number: 10548-10-4
pubchem: 25355

3,6-dimethyloctaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
smiles: CCC(C)CCC(C)CC
iupac name: 3,6-Dimethyloctane @en
notation: 36DC1yC8a
in scheme: Conceptschema Chemische Stoffen
formula: C10H22
inchikey: JEEQUUSFXYRPRK-UHFFFAOYSA-N
broader: CHEMONTID_0004620
pubchem: 85927
cas number: 15869-94-0
inchi: InChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3

flufenazine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 3372
cas number: 47646-09-3
cas number: 69-23-8
inchi: InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
iupac name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol @en
notation: flufnzne
inchikey: PLDUPXSUYLZYBN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000310
formula: C22H26F3N3OS

1,2-difenoxyethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 12DfenOxC2a
cas number: 104-66-5
iupac name: 2-(phenoxy)ethoxybenzene @en
pubchem: 7713
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002341
inchikey: XCSGHNKDXGYELG-UHFFFAOYSA-N
formula: C14H14O2
inchi: InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
smiles: C1=CC=C(C=C1)OCCOC2=CC=CC=C2

chlofentezin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 73670
cas number: 74115-24-5
cas number: 88025-82-5
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine @en
broader: CHEMONTID_0001099
formula: C14H8Cl2N4
inchikey: UXADOQPNKNTIHB-UHFFFAOYSA-N
inchi: InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
notation: chloftzn

waterstofperoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: MHAJPDPJQMAIIY-UHFFFAOYSA-N
cas number: 218625-72-0
cas number: 66554-50-5
cas number: 8007-30-5
cas number: 37355-84-3
cas number: 7722-84-1
in scheme: Conceptschema Chemische Stoffen
iupac name: hydrogen peroxide @en
notation: H2O2
broader: CHEMONTID_0000434
formula: H2O2
inchi: InChI=1S/H2O2/c1-2/h1-2H
smiles: OO
pubchem: 784

thiopental
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C11H18N2O2S
inchi: InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
inchikey: IUJDSEJGGMCXSG-UHFFFAOYSA-N
pubchem: 1244
iupac name: 5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione @en
cas number: 59709-53-4
cas number: 76-75-5
broader: CHEMONTID_0001122
notation: toptl
smiles: CCCC(C)C1(C(=O)NC(=NC1=O)S)CC
in scheme: Conceptschema Chemische Stoffen

furosemide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: fursmde
broader: CHEMONTID_0001925
cas number: 54-31-9
formula: C12H11ClN2O5S
pubchem: 3440
iupac name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid @en
in scheme: Conceptschema Chemische Stoffen
inchikey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N

c8-c18-alkylbenzyldimethylammoniumchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
alternative label: C8-C18-alkylbenzyldimethylammoniumchloride
alternative label: benzyldimethyldecylammoniumchloride
smiles: CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
iupac name: benzyl-decyl-dimethylazanium chloride @en
pubchem: 13762
broader: CHEMONTID_0003977
notation: C8C18akbzDC1
notation: benzDC1yC10y
cas number: 965-32-2
cas number: 63449-41-2
formula: C19H34ClN
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
inchikey: TTZLKXKJIMOHHG-UHFFFAOYSA-M

thiodicarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 78876-59-2
cas number: 72424-66-9
cas number: 65154-62-3
cas number: 59669-26-0
smiles: CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC
pubchem: 9601227
inchikey: XDOTVMNBCQVZKG-MKICQXMISA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000364
formula: C10H18N4O4S3
inchi: InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7+,12-8+
iupac name: (1-methylsulfanylethylideneamino) N-methyl-N-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamate @en
notation: toDcb

microcystine-lf
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
alternative label: microcystine-LF
broader: CHEMONTID_0002010
iupac name: 18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-15-(phenylmethyl)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid @en
in scheme: Conceptschema Chemische Stoffen
notation: MC-LF
inchikey: FEVBMCJUKWWWBT-BNIOFCGNSA-N
cas number: 154037-70-4
pubchem: 6442256
inchi: InChI=1S/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+
formula: C52H71N7O12

pethoxamid
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: petoamd
broader: CHEMONTID_0002279
formula: C16H22ClNO2
inchikey: CSWIKHNSBZVWNQ-UHFFFAOYSA-N
inchi: InChI=1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3
pubchem: 6450826
smiles: CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1
cas number: 106700-29-2
iupac name: 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide @en

2,6-diisopropylnaftaleen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
smiles: CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C
in scheme: Conceptschema Chemische Stoffen
pubchem: 32241
cas number: 24157-81-1
notation: 26DiC3yNaf
formula: C16H20
inchikey: GWLLTEXUIOFAFE-UHFFFAOYSA-N
iupac name: 2,6-di(propan-2-yl)naphthalene @en
inchi: InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3
broader: CHEMONTID_0000023

indolylboterzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
iupac name: 4-(1H-indol-3-yl)butanoic acid @en
broader: CHEMONTID_0004196
pubchem: 8617
in scheme: Conceptschema Chemische Stoffen
cas number: 65216-51-5
cas number: 111150-79-9
cas number: 133-32-4
formula: C12H13NO2
inchikey: JTEDVYBZBROSJT-UHFFFAOYSA-N
smiles: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
notation: indlbtzr

ammoniumhydroxide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 132103-60-7
cas number: 125888-87-1
cas number: 1336-21-6
cas number: 16393-49-0
notation: NH4OH
smiles: [NH4+].[OH-]
formula: H5NO
broader: CHEMONTID_0001055
inchi: InChI=1S/H3N.H2O/h1H3;1H2
in scheme: Conceptschema Chemische Stoffen
iupac name: azanium hydroxide @en
inchikey: VHUUQVKOLVNVRT-UHFFFAOYSA-N
pubchem: 14923

fenamidon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: LMVPQMGRYSRMIW-KRWDZBQOSA-N
formula: C17H17N3OS
pubchem: 10403199
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1
cas number: 161326-34-7
broader: CHEMONTID_0000060
iupac name: (5S)-5-methyl-2-methylsulfanyl-5-phenyl-3-(phenylamino)imidazol-4-one @en
notation: fenmdn

quizalofop-ethyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: OSUHJPCHFDQAIT-UHFFFAOYSA-N
formula: C19H17ClN2O4
iupac name: ethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 76578-14-8
cas number: 89468-49-5
broader: CHEMONTID_0004677
pubchem: 53518
notation: quizlfC2y
inchi: InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3

2,4,5-trichlooraniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 245TClAn
pubchem: 12487
iupac name: 2,4,5-Trichloroaniline @en
smiles: C1=C(C(=CC(=C1Cl)Cl)Cl)N
formula: C6H4Cl3N
inchi: InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
broader: CHEMONTID_0000284
inchikey: GUMCAKKKNKYFEB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 636-30-6

butylbenzeensulfonamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 3622-84-2
broader: CHEMONTID_0000031
smiles: CCCCNS(=O)(=O)C1=CC=CC=C1
iupac name: N-BUTYLBENZENESULFONAMIDE @en
formula: C10H15NO2S
in scheme: Conceptschema Chemische Stoffen
inchikey: IPRJXAGUEGOFGG-UHFFFAOYSA-N
inchi: InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
notation: C4yBensfAd
pubchem: 19241

di-isooctylftalaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: IJFPVINAQGWBRJ-UHFFFAOYSA-N
formula: C24H38O4
cas number: 41375-90-0
cas number: 25103-50-8
cas number: 27554-26-3
cas number: 1330-91-2
cas number: 71097-28-4
notation: DiC8yFt
in scheme: Conceptschema Chemische Stoffen
pubchem: 33934
iupac name: bis(6-methylheptyl) benzene-1,2-dicarboxylate @en
inchi: InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3
broader: CHEMONTID_0001350

tetracycline hydrochloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: T4cycnHCl
iupac name: (2Z,4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride @en
inchikey: DYQBMRZOOXYHIM-NCKOGSTASA-N
pubchem: 5282243
inchi: InChI=1S/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25-26,30-32H,7,23H2,1-3H3;1H/b20-14-;/t9-,10-,15-,21+,22-;/m0./s1
formula: C22H25ClN2O8
cas number: 64-75-5
in scheme: Conceptschema Chemische Stoffen

francium 223
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000425
formula: Fr
cas number: 15756-98-6
smiles: [Fr]
iupac name: francium-223 @en
notation: Fr223
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Fr/i1+0
inchikey: KLMCZVJOEAUDNE-IGMARMGPSA-N
pubchem: 6337087

cadmium 109
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 104782
in scheme: Conceptschema Chemische Stoffen
cas number: 14109-32-1
notation: Cd109
formula: Cd
broader: CHEMONTID_0000426
inchi: InChI=1S/Cd/i1-3
iupac name: cadmium-109 @en
inchikey: BDOSMKKIYDKNTQ-OIOBTWANSA-N
smiles: [Cd]

neptunium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000430
inchi: InChI=1S/Np
cas number: 7439-99-8
cas number: 22541-66-8
cas number: 22537-61-7
in scheme: Conceptschema Chemische Stoffen
notation: Np
inchikey: LFNLGNPSGWYGGD-UHFFFAOYSA-N
formula: Np
smiles: [Np]
iupac name: NEPTUNIUM @en
pubchem: 23933

plutonium 240
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000430
inchi: InChI=1S/Pu/i1-4
notation: Pu240
iupac name: plutonium-240 @en
formula: Pu
cas number: 14119-33-6
pubchem: 104728
inchikey: OYEHPCDNVJXUIW-AHCXROLUSA-N
smiles: [Pu]
in scheme: Conceptschema Chemische Stoffen

methylhexylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 7824
inchi: InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
iupac name: Methyl hexanoate @en
notation: C1yC6yat
broader: CHEMONTID_0003417
in scheme: Conceptschema Chemische Stoffen
inchikey: NUKZAGXMHTUAFE-UHFFFAOYSA-N
smiles: CCCCCC(=O)OC
formula: C7H14O2
cas number: 106-70-7

difenyltin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
pubchem: 70535
inchi: InChI=1S/2C6H5.Sn/c2*1-2-4-6-5-3-1;/h2*1-5H;
cas number: 1011-95-6
cas number: 6381-06-2
inchikey: KUCPUSUXIGWHFB-UHFFFAOYSA-N
broader: CHEMONTID_0002279
smiles: C1=CC=C(C=C1)[Sn]C2=CC=CC=C2
formula: C12H10Sn
iupac name: di(phenyl)tin @en
in scheme: Conceptschema Chemische Stoffen

anhydro-erythromycine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C37H65NO12
iupac name: (1S,2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.2.1.11,4]hexadecan-7-one @en
notation: anHertmcne
inchikey: YKAVHPRGGAUFDN-JTQLBUQXSA-N
broader: CHEMONTID_0000282
pubchem: 83949
inchi: InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-,37+/m1/s1
in scheme: Conceptschema Chemische Stoffen
cas number: 23893-13-2

tertiair-butylacrylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 782475-36-9
cas number: 1663-39-4
broader: CHEMONTID_0004452
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)(C)OC(=O)C=C
iupac name: tert-butyl prop-2-enoate @en
notation: ttC4yaclt
inchikey: ISXSCDLOGDJUNJ-UHFFFAOYSA-N
inchi: InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3
pubchem: 15458
formula: C7H12O2

perfluornonaanzuur (pfna)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0003958
alternative label: perfluor-n-nonaanzuur
alternative label: perfluor-n-nonaanzuur (pfna)
alternative label: perfluornonaanzuur
in scheme: Conceptschema Chemische Stoffen
cas number: 375-95-1
pubchem: 67821
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid @en
notation: PFNA
inchikey: UZUFPBIDKMEQEQ-UHFFFAOYSA-N
formula: C9HF17O2
inchi: InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)

endothal
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 129-67-9
cas number: 145-73-3
cas number: 11096-76-7
inchi: InChI=1S/C8H10O5.2Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2
formula: C8H8Na2O5
smiles: C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
pubchem: 8519
broader: CHEMONTID_0000346
in scheme: Conceptschema Chemische Stoffen
notation: endtl
inchikey: XRHVZWWRFMCBAZ-UHFFFAOYSA-L
iupac name: disodium 7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylate @en

uniconazool
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 83657-22-1
cas number: 76714-83-5
iupac name: (E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol @en
broader: CHEMONTID_0002754
formula: C15H18ClN3O
inchi: InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+
notation: uncnzl
inchikey: YNWVFADWVLCOPU-MDWZMJQESA-N
pubchem: 6436604
in scheme: Conceptschema Chemische Stoffen

dexamethason
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 5743
inchikey: UREBDLICKHMUKA-CXSFZGCWSA-N
broader: CHEMONTID_0003095
cas number: 137098-19-2
cas number: 8054-59-9
cas number: 50-02-2
cas number: 23495-06-9
notation: dexmtsn
inchi: InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
formula: C22H29FO5

1-ethylnaftaleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCC1=CC=CC2=CC=CC=C21
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000023
inchikey: ZMXIYERNXPIYFR-UHFFFAOYSA-N
iupac name: 1-Ethylnaphthalene @en
inchi: InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3
cas number: 27138-19-8
cas number: 1127-76-0
formula: C12H12
notation: 1C2yNaf
pubchem: 14315

2,4,6-trichloor-1,3,5-triazine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: MGNCLNQXLYJVJD-UHFFFAOYSA-N
smiles: C1(=NC(=NC(=N1)Cl)Cl)Cl
pubchem: 7954
broader: CHEMONTID_0004721
iupac name: 2,4,6-Trichloro-1,3,5-triazine @en
alternative label: cyanuurzuurchloride
cas number: 108-77-0
cas number: 190086-22-7
inchi: InChI=1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1
in scheme: Conceptschema Chemische Stoffen
notation: CNuzCl
formula: C3Cl3N3

fenoxaprop-ethyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 82110-72-3
cas number: 87714-45-2
cas number: 66441-23-4
formula: C18H16ClNO5
iupac name: ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate @en
broader: CHEMONTID_0004677
pubchem: 47938
inchikey: PQKBPHSEKWERTG-UHFFFAOYSA-N
notation: fenOapC2y
inchi: InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3
in scheme: Conceptschema Chemische Stoffen

2,4-d butoxyethylester
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
alternative label: 2,4-D butoxyethylester
notation: 24DC4oxC2yEs
inchikey: ZMWGIGHRZQTQRE-UHFFFAOYSA-N
pubchem: 16002
iupac name: 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate @en
broader: CHEMONTID_0000417
formula: C14H18Cl2O4
cas number: 1929-73-3
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3

3,7,11,15-tetramethyl-2-hexadecen-1-ol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: 371115T4C1y2
inchi: InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+
inchikey: BOTWFXYSPFMFNR-HMMYKYKNSA-N
formula: C20H40O
broader: CHEMONTID_0001357
cas number: 102608-53-7
pubchem: 5366244
smiles: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
in scheme: Conceptschema Chemische Stoffen
iupac name: ['(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol', '3,7,11,15-Tetramethylhexadec-2-en-1-ol'] @en

uranium 231
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: U231
smiles: [U]
pubchem: 177622
iupac name: uranium-231 @en
in scheme: Conceptschema Chemische Stoffen
formula: U
inchikey: JFALSRSLKYAFGM-NOHWODKXSA-N
cas number: 15700-08-0
broader: CHEMONTID_0000430
inchi: InChI=1S/U/i1-7

2-deaminoactinomycine D
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 2dAoatnmcnD
broader: CHEMONTID_0001994
inchi: InChI=1S/C62H85N11O16/c1-28(2)43-59(83)72-23-17-19-38(72)57(81)68(13)26-41(75)70(15)49(30(5)6)61(85)87-34(11)45(55(79)64-43)66-53(77)36-22-21-32(9)51-47(36)63-48-37(25-40(74)33(10)52(48)89-51)54(78)67-46-35(12)88-62(86)50(31(7)8)71(16)42(76)27-69(14)58(82)39-20-18-24-73(39)60(84)44(29(3)4)65-56(46)80/h21-22,25,28-31,34-35,38-39,43-46,49-50H,17-20,23-24,26-27H2,1-16H3,(H,64,79)(H,65,80)(H,66,77)(H,67,78)
cas number: 10118-32-8
in scheme: Conceptschema Chemische Stoffen
pubchem: 99813
alternative label: 2-deaminoactinomycine d
inchikey: ZOWMRHVAQGTFTG-UHFFFAOYSA-N
iupac name: 4,6-dimethyl-3-oxo-N,N'-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide @en
formula: C62H85N11O16

actinium 228
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: QQINRWTZWGJFDB-OUBTZVSYSA-N
formula: Ac
broader: CHEMONTID_0000430
smiles: [Ac]
pubchem: 105063
cas number: 14331-83-0
iupac name: actinium-228 @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Ac/i1+1
notation: Ac228

ethoxyethylacetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 8095
cas number: 111-15-9
in scheme: Conceptschema Chemische Stoffen
notation: C2oxC2yactt
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3
inchikey: SVONRAPFKPVNKG-UHFFFAOYSA-N
iupac name: 2-Ethoxyethyl acetate @en
broader: CHEMONTID_0001238
smiles: CCOCCOC(=O)C

8-chinolinol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
pubchem: 1923
cas number: 123574-67-4
cas number: 148-24-3
cas number: 24804-14-6
smiles: C1=CC2=C(C(=C1)O)N=CC=C2
formula: C9H7NO
broader: CHEMONTID_0003953
notation: 8chinlnl
inchikey: MCJGNVYPOGVAJF-UHFFFAOYSA-N
iupac name: quinolin-8-ol @en

1-methyl-2-(1-methylethyl)-benzeen (o-cymeen)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
pubchem: 10703
inchikey: WWRCMNKATXZARA-UHFFFAOYSA-N
cas number: 25155-15-1
cas number: 52857-36-0
cas number: 527-84-4
cas number: 8023-69-6
cas number: 1329-98-2
cas number: 40356-70-5
formula: C10H14
inchi: InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
smiles: CC1=CC=CC=C1C(C)C
broader: CHEMONTID_0000355
iupac name: 1-methyl-2-propan-2-ylbenzene @en
notation: 1C1y21C1yC2y
in scheme: Conceptschema Chemische Stoffen

tetrabutylammoniumchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 25147-59-5
cas number: 1112-67-0
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]
inchikey: NHGXDBSUJJNIRV-UHFFFAOYSA-M
formula: C16H36ClN
notation: T4C4yNH4Cl
inchi: InChI=1S/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
iupac name: tetrabutylazanium chloride @en
pubchem: 70681
broader: CHEMONTID_0004225

chlorofeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: 4-chloor-2-benzylfenol
cas number: 144246-47-9
cas number: 8013-49-8
cas number: 120-32-1
notation: Clfn
inchikey: NCKMMSIFQUPKCK-UHFFFAOYSA-N
iupac name: 4-Chloro-2-(phenylmethyl)phenol @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000369
formula: C13H11ClO
inchi: InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
smiles: C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O
pubchem: 8425

cefapirine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1
formula: C17H16N3NaO6S2
inchikey: VGEOUKPOQQEQSX-UHFFFAOYSA-M
cas number: 21593-23-7
pubchem: 32325
in scheme: Conceptschema Chemische Stoffen
iupac name: sodium 3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en
broader: CHEMONTID_0004411

fenoxaprop-P-ethyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
alternative label: fenoxaprop-p-ethyl
formula: C18H16ClNO5
inchikey: PQKBPHSEKWERTG-LLVKDONJSA-N
iupac name: ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate @en
notation: fenxppPC2y
broader: CHEMONTID_0004677
inchi: InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1
pubchem: 91707
cas number: 71283-80-2
in scheme: Conceptschema Chemische Stoffen

(z)-9-octadeceenzuur butylester
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: WIBFFTLQMKKBLZ-SEYXRHQNSA-N
formula: C22H42O2
in scheme: Conceptschema Chemische Stoffen
notation: Z-9C18ezrC4y
alternative label: (Z)-9-octadeceenzuur butylester
smiles: CCCCCCCCC=CCCCCCCCC(=O)OCCCC
cas number: 142-77-8
broader: CHEMONTID_0000324
iupac name: butyl (Z)-octadec-9-enoate @en
inchi: InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-
pubchem: 5354342

candesartan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: candstn
inchi: InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
in scheme: Conceptschema Chemische Stoffen
cas number: 139481-59-7
broader: CHEMONTID_0000041
inchikey: HTQMVQVXFRQIKW-UHFFFAOYSA-N
iupac name: 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid @en
pubchem: 2541
formula: C24H20N6O3

3-hydroxypropylmethacrylaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 68298-92-0
cas number: 39420-45-6
cas number: 50858-50-9
cas number: 55844-66-1
cas number: 72146-59-9
cas number: 2761-09-3
cas number: 111173-57-0
cas number: 78736-62-6
iupac name: 3-hydroxypropyl 2-methylprop-2-enoate @en
inchi: InChI=1S/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3
notation: 3HOC3ymtclt
formula: C7H12O3
pubchem: 17694
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003626
inchikey: GNSFRPWPOGYVLO-UHFFFAOYSA-N
smiles: CC(=C)C(=O)OCCCO

1-naftaleenazijnzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000023
smiles: C1=CC=C2C(=C1)C=CC=C2CC(=O)O
cas number: 61913-11-9
cas number: 86-87-3
cas number: 26445-01-2
inchikey: PRPINYUDVPFIRX-UHFFFAOYSA-N
pubchem: 6862
notation: 1NafHAc
formula: C12H10O2
inchi: InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
iupac name: 2-naphthalen-1-ylacetic acid @en

nonylfenoldiethoxylaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 106400-82-2
cas number: 27176-93-8
inchi: InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)22-17-16-21-15-14-20/h9-10,12-13,20H,2-8,11,14-17H2,1H3
formula: C19H32O3
notation: NPEO2
inchikey: RRLGETDMEIMLQU-UHFFFAOYSA-N
pubchem: 3032832
iupac name: 2-[2-(2-nonylphenoxy)ethoxy]ethanol @en
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCO
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen

fosfamidon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C10H19ClNO5P
broader: CHEMONTID_0003459
pubchem: 3032604
smiles: CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl
cas number: 23783-98-4
cas number: 13171-21-6
iupac name: ['(3-chloro-4-diethylamino-4-oxobut-2-en-2-yl) dimethyl phosphate', '(3-chloro-4-diethylamino-4-oxobut-2-en-2-yl)oxy-hydroxy-dimethoxyphosphanium', '[(Z)-3-chloro-4-diethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate'] @en
in scheme: Conceptschema Chemische Stoffen
inchikey: RGCLLPNLLBQHPF-HJWRWDBZSA-N
notation: cfosfmdn
notation: fosfmdn
inchi: InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8-
alternative label: cis-fosfamidon

tiocarbazil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CCC(C)N(C(C)CC)C(=O)SCC1=CC=CC=C1
inchikey: PHSUVQBHRAWOQD-UHFFFAOYSA-N
pubchem: 37523
inchi: InChI=1S/C16H25NOS/c1-5-13(3)17(14(4)6-2)16(18)19-12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3
notation: tocbzl
formula: C16H25NOS
broader: CHEMONTID_0002279
iupac name: S-(phenylmethyl) (di(butan-2-yl)amino)methanethioate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 36756-79-3

methotrexaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: mettxt
iupac name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid @en
formula: C20H22N8O5
inchikey: FBOZXECLQNJBKD-ZDUSSCGKSA-N
inchi: InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
broader: CHEMONTID_0004323
cas number: 59-05-2
pubchem: 126941

1-methoxybutaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C5H12O
notation: 1C1oxC4a
pubchem: 12338
broader: CHEMONTID_0001167
cas number: 628-28-4
iupac name: 1-Methoxybutane @en
inchi: InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3
inchikey: CXBDYQVECUFKRK-UHFFFAOYSA-N
smiles: CCCCOC
in scheme: Conceptschema Chemische Stoffen

2,3,3',4,5-pentachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C12H5Cl5/c13-7-3-1-2-6(4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H
broader: CHEMONTID_0003030
inchikey: BQENMISTWGTJIJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 51075
cas number: 70424-69-0
formula: C12H5Cl5
notation: PCB107
iupac name: 1,2,3,4-tetrachloro-5-(3-chlorophenyl)benzene @en

trimethylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C3H9N/c1-4(2)3/h1-3H3
iupac name: N,N-dimethylmethanamine @en
notation: TC1yAe
in scheme: Conceptschema Chemische Stoffen
formula: C3H9N
broader: CHEMONTID_0002239
inchikey: GETQZCLCWQTVFV-UHFFFAOYSA-N
smiles: CN(C)C
pubchem: 1146
cas number: 4558-12-7
cas number: 75-50-3

1,4-diacetylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1009-61-6
iupac name: 1-(4-acetylphenyl)ethanone @en
broader: CHEMONTID_0004298
inchi: InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3
in scheme: Conceptschema Chemische Stoffen
inchikey: SKBBQSLSGRSQAJ-UHFFFAOYSA-N
formula: C10H10O2
smiles: CC(=O)C1=CC=C(C=C1)C(=O)C
notation: 14DactBen
pubchem: 13888

1,4-dimethylnaftaleen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C12H12
notation: 14DC1yNaf
smiles: CC1=CC=C(C2=CC=CC=C12)C
inchi: InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3
pubchem: 11304
iupac name: 1,4-Dimethylnaphthalene @en
in scheme: Conceptschema Chemische Stoffen
inchikey: APQSQLNWAIULLK-UHFFFAOYSA-N
cas number: 571-58-4
broader: CHEMONTID_0000023

cis-13,16-docosadieenzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CCCCCC=CCC=CCCCCCCCCCCCC(=O)O
iupac name: (13E,16E)-docosa-13,16-dienoic acid @en
notation: c1316C22aDzr
broader: CHEMONTID_0002950
inchikey: HVGRZDASOHMCSK-AVQMFFATSA-N
pubchem: 5282807
formula: C22H40O2
cas number: 7370-49-2
in scheme: Conceptschema Chemische Stoffen