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JRC HEPATOTOX: Hepatotox list A list of reference chemicals that we are using for in-vitro hepatotoxicity testing with HepaRG cells (HTS/HCA-Imaging). Info on physico-chemical properties and toxicity data (MoA as available) 1 (1 chemicals) download  excel file 
CASEINECSChemical NameSMILES
10108-64-2 233-296-7Cadmium Chloride[Cd](Cl)Cl
103-90-2 203-157-54-Acetamidophenolc1(ccc(cc1)O)NC(=O)C
10540-29-1 234-118-0TamoxifenC(=C(/c1ccccc1)CC)(\c1ccc(OCCN(C)C)cc1)c1ccccc1
115-09-3 204-064-2Mercury, Chloromethyl- (8ci,9ci)C[Hg]Cl
1162-65-8 214-603-3Aflatoxin B1COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCC5=O)c14
117-81-7 204-211-0Dioctyl PhthalateCCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC
122-34-9 204-535-2SimazineCCNc1nc(Cl)nc(NCC)n1
131341-86-1 603-476-3FludioxonilFC1(F)Oc2cccc(c2O1)c3c[nH]cc3C#N
131983-72-7 603-543-7TriticonazoleCC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn3cncn3
13292-46-1 236-312-0Rifampicin[H][C@]1(OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(C)C(=O)NC2=C(\C=N\N3CCN(C)CC3)C(O)=C3C4=C(O[C@](C)(O\C=C\[C@H](OC)[C@H]1C)C4=O)C(C)=C(O)C3=C2O
13311-84-7 236-341-9FlutamideCC(C)C(=O)NC1=CC(=C(C=C1)[N](=O)=O)C(F)(F)F
148-79-8 205-725-8Thiabendazolec1ccc2[nH]c(nc2c1)c3cscn3
151-21-3 205-788-1Sulfuric Acid Monododecyl Ester Sodium Salt (1:1)C(CCCCCCCCCC)COS(=O)(=O)[O-].[Na+]
151-50-8 205-792-3Potassium Cyanide (K(CN))[K]C#N
152-11-4 205-800-5(±)-Verapamil Hydrochloridec1([C@@](CCC[N@@](CCc2cc(c(OC)cc2)OC)C)(C(C)C)C#N)cc(c(OC)cc1)OC.Cl
156052-68-5 605-037-1ZoxamideCCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl
15687-27-1 239-784-6Benzeneacetic Acid, α-Methyl-4-(2-Methylpropyl)-CC(C)Cc1ccc(cc1)C(C)C(=O)O
15972-60-8 240-110-8AlachlorCCc1cccc(CC)c1N(COC)C(=O)CCl
1675-54-3 216-823-5Oxirane, 2,2'-[(1-Methylethylidene)Bis(4,1-Phenyleneoxymethylene)]Bis-CC(C)(c1ccc(OCC2CO2)cc1)c3ccc(OCC4CO4)cc3
1698-60-8 216-920-2PyrazonNC1=C(Cl)C(=O)N(N=C1)c2ccccc2
1746-01-6 217-122-7Dibenzo[B,E][1,4]Dioxin, 2,3,7,8-Tetrachloro-Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl
1763-23-1 217-179-8Heptadecafluorooctanesulfonic acid solutionOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
1836-75-5 217-406-0Benzene, 2,4-Dichloro-1-(4-Nitrophenoxy)-[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
18683-91-5 242-500-3AmbroxolNc1c(Br)cc(Br)cc1CN[C@@H]2CC[C@@H](O)CC2
188489-07-8 606-145-1Flufenpyr-EthylCCOC(=O)COc1cc(N2N=CC(=C(C)C2=O)C(F)(F)F)c(F)cc1Cl
1912-24-9 217-617-8AtrazineCCNc1nc(Cl)nc(NC(C)C)n1
19774-82-4 243-293-2Amiodarone Hydrochloridec1(c2c(cccc2)oc1CCCC)C(c1cc(c(OCC[NH+](CC)CC)c(c1)I)I)=O.[ClH-]
2164-17-2 218-500-4FluomethuronCN(C)C(=O)Nc1cccc(c1)C(F)(F)F
23031-36-9 245-387-9PrallethrinCC(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC#C)C1(C)C)C
23564-05-8 245-740-7Thiophanate-methylCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC
2425-06-1 219-363-3CaptafolClC(Cl)C(Cl)(Cl)SN1C(=O)[C@H]2CC=CC[C@@H]2C1=O
2593-15-9 219-991-8EstridiazoleCCOc1nc(ns1)C(Cl)(Cl)Cl
26002-80-2 247-404-5Cyclopropanecarboxylic Acid, 2,2-Dimethyl-3-(2-Methyl-1-Propen-1-Yl)-, (3-Phenoxyphenyl)Methyl EsterCC(=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C
27314-13-2 248-397-1NorflurazonCNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F
28434-00-6 249-013-5S-BioallethrinCC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C
29091-21-2 249-421-3ProdiamineCCCN(CCC)c1c(cc(c(N)c1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
298-46-4 206-062-7CarbazepineNC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
303-47-9 206-143-7Ochratoxin A (7ci)C[C@@H]1CC2=C(Cl)C=C(C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O)C(O)=C2C(=O)O1
309-00-2 206-215-81,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-Hexahydro-, (1r,4s,4as,5s,8r,8ar)-Rel-ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl
329-63-5 206-346-0(±)-Epinephrine Hydrochloridec1(cc(c(O)cc1)O)[C@@H](C[NH2+]C)O.[ClH-]
33386-08-2 251-489-4BuspironeO=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4
335-67-1 206-397-9Perfluorooctanoic acidOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
3380-34-5 222-182-2IrgasanOc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl
34256-82-1 251-899-3AcetochlorCCOCN(C(=O)CCl)c1c(C)cccc1CC
35554-44-0 252-615-0ImazalilClc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1
357-57-3 206-614-7Strychnidin-10-One, 2,3-Dimethoxy-[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=CC(OC)=C(OC)C=C7[C@@]1(CC[N@]2C4)[C@]6([H])[C@@]35[H]
39765-80-5 4,7-Methano-1h-Indene, 1,2,3,4,5,6,7,8,8-Nonachloro-2,3,3a,4,7,7a-Hexahydro-, (1α,2β,3α,3aα,4β,7β,7aα)-ClC1C(Cl)C2C(C1Cl)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl
40487-42-1 254-938-2PendimethalinCCC(CC)Nc1c(cc(C)c(C)c1[N+](=O)[O-])[N+](=O)[O-]
42874-03-3 255-983-0OxyfluorfenCCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-]
43121-43-3 256-103-8TriadimefonCC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2
463-77-4 Carbamic Acid (6ci,7ci,8ci,9ci)NC([O-])=O
4685-14-7 225-141-74,4'-Bipyridinium, 1,1'-Dimethyl-C[n+]1ccc(cc1)-c2cc[n+](C)cc2
50-32-8 200-028-5Benzo[Def]Chrysenec1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
50-78-2 200-064-1Acetylsalicylic AcidO=C(Oc(c(ccc1)C(=O)O)c1)C
50471-44-8 256-599-6VinclozolinCC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C
51-52-5 200-103-2PropylthiouracilCCCc1cc(=O)[nH]c(=S)[nH]1
52-86-8 200-155-6HaloperidolOC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
52315-07-8 257-842-9CypermethrinCC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2
52479-85-3 257-945-9Methanone, (2,3,4-Trihydroxyphenyl)(3,4,5-Trihydroxyphenyl)-Oc1ccc(C(=O)c2cc(O)c(O)c(O)c2)c(O)c1O
52645-53-1 258-067-9PermethrinCC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1
52806-53-8 Hydroxyflutamidec1c(C(F)(F)F)c([N+](=O)[O-])ccc1NC(=O)C(O)(C)C
53-96-3 200-188-6Acetamide, N-9h-Fluoren-2-Yl-CC(=O)Nc1ccc2c(Cc3ccccc23)c1
533-74-4 208-576-7DazometCN1CSC(=S)N(C)C1
54-85-3 200-214-6IsoniazidNNC(=O)c1ccncc1
56-53-1 200-278-5DiethylstilbestrolCC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
56-75-7 200-287-4Chloramphenicolc1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
57-24-9 200-319-7Strychnine[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=CC=CC=C7[C@@]1(CC[N@]2C4)[C@]6([H])[C@@]35[H]
57-41-0 200-328-6PhenytoinO=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3
58-08-2 200-362-1CaffeineO=C1C2=C(N=CN2C)N(C(=O)N1C)C
58-08-2 200-362-1CaffeineO=C1C2=C(N=CN2C)N(C(=O)N1C)C
58-18-4 200-366-3Methyltestosterone[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
58-89-9 200-401-2LindaneCl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
5908-99-6 611-792-8Atropine Sulfate MonohydrateC1[C@@H](C[C@@H]2CC[C@@H]1N2C)OC([C@@H](c1ccccc1)CO)=O.OS(=O)(O)=O.C1[C@@H](C[C@@H]2CC[C@@H]1N2C)OC([C@@H](c1ccccc1)CO)=O.O
59865-13-3 611-907-1Cyclosporine[H][C@]1(NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@]([H])(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C1=O)C(C)C
60168-88-9 262-095-7FenarimolOC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=C(Cl)C=CC=C1
60207-90-1 262-104-4PropiconazoleCCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl
608-93-5 210-172-0PentachlorobenzeneClc1cc(Cl)c(Cl)c(Cl)c1Cl
62-73-7 200-547-7DichlorvosCOP(=O)(OC)OC=C(Cl)Cl
63612-50-0 NilutamideN1(c2cc(c([N+](=O)[O-])cc2)C(F)(F)F)C(C(C)(C)NC1=O)=O
66-81-9 200-636-0Cicloheximide[H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1
68359-37-5 269-855-7BaythroidCC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2
69-09-0 200-701-3Chlorpromazine HydrochlorideN1(c2c(Sc3c1cccc3)ccc(c2)Cl)CCCN(C)C.Cl
73590-58-6 615-996-81h-Benzimidazole, 6-Methoxy-2-[[(4-Methoxy-3,5-Dimethyl-2-Pyridinyl)Methyl]Sulfinyl]-COc1ccc2nc([nH]c2c1)S(=O)Cc3ncc(C)c(OC)c3C
7447-40-7 231-211-8Potassium Chloride[Cl-].[K+]
76578-14-8 616-351-3Quizalofop-ethylCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
77501-63-4 616-466-9LactofenCCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-]
79-44-7 201-208-6Carbamic Chloride, N,N-Dimethyl-CN(C)C(=O)Cl
79622-59-6 616-712-5Fluazinam[O-][N+](=O)c1cc(c(Cl)c(c1Nc2ncc(cc2Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
79983-71-4 616-763-3HexaconazoleCCCCC(O)(Cn1cncn1)c2ccc(Cl)cc2Cl
80-05-7 201-245-8Bisphenol AC(C1C=CC(=CC=1)O)(C2=CC=C(C=C2)O)(C)C
81-81-2 201-377-6WarfarinC1=CC=C3C(=C1)OC(=O)C(C(CC(C)=O)C2=CC=CC=C2)=C3O
83-79-4 201-501-9RotenoneCOc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C
84-74-2 201-557-4Dibutyl PhthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC
85-44-9 201-607-5Phthalic AnhydrideO=C1OC(=O)c2ccccc12
85509-19-9 617-717-5FlusilazoleC[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3
87-86-5 201-778-6PentachlorophenolOC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
87820-88-0 618-075-9TralkoxidymCCON=C(CC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C
88-85-7 201-861-7Phenol, 2-(1-Methylpropyl)-4,6-Dinitro-CCC(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
886-50-0 212-950-51,3,5-Triazine-2,4-Diamine, N2-(1,1-Dimethylethyl)-N4-Ethyl-6-(Methylthio)-CCNc1nc(NC(C)(C)C)nc(SC)n1
88671-89-0 618-198-8MyclobutanilCCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2
91465-08-6 618-753-4Cyclopropanecarboxylic Acid, 3-[(1z)-2-Chloro-3,3,3-Trifluoro-1-Propen-1-Yl]-2,2-Dimethyl-, (R)-Cyano(3-Phenoxyphenyl)Methyl Ester, (1s,3s)-Rel-CC1(C)[C@H](\C=C(/Cl)\C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2
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