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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 (111 chemicals) download JRC HEPATOTOX excel file 
CASEINECSJRC CODEChemical NameSMILES
117-81-7204-211-0JRC-000177Dioctyl PhthalateCCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC
151-21-3205-788-1JRC-000016Sulfuric Acid Monododecyl Ester Sodium Salt (1:1)CCCCCCCCCCCCOS(=O)(=O)O[Na]
151-50-8205-792-3JRC-000083Potassium Cyanide (K(CN))[K]C#N
152-11-4205-800-5JRC-000053(±)-Verapamil Hydrochloridec1([C@@](CCC[N@@](CCc2cc(c(OC)cc2)OC)C)(C(C)C)C#N)cc(c(OC)cc1)OC.Cl
1763-23-1217-179-8JRC-000286Heptadecafluorooctanesulfonic 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
18683-91-5242-500-3JRC-000101AmbroxolNc1c(Br)cc(Br)cc1CN[C@@H]2CC[C@@H](O)CC2
309-00-2206-215-8JRC-0003111,4:5,8-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
43121-43-3256-103-8JRC-000302TriadimefonCC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2
52645-53-1258-067-9JRC-000288PermethrinCC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1
53-96-3200-188-6JRC-000308Acetamide, N-9h-Fluoren-2-Yl-CC(=O)Nc1ccc2c(Cc3ccccc23)c1
533-74-4208-576-7JRC-000320DazometCN1CSC(=S)N(C)C1
54-85-3200-214-6JRC-000025IsoniazidNNC(=O)c1ccncc1
56-53-1200-278-5JRC-000191DiethylstilbestrolCC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
62-73-7200-547-7JRC-000072DichlorvosCOP(=O)(OC)OC=C(Cl)Cl
81-81-2201-377-6JRC-000023WarfarinC1=CC=C3C(=C1)OC(=O)C(C(CC(C)=O)C2=CC=CC=C2)=C3O
10108-64-2233-296-7JRC-000066Cadmium Chloride[Cd](Cl)Cl
23031-36-9245-387-9JRC-000290PrallethrinCC(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC#C)C1(C)C)C
23564-05-8245-740-7JRC-000299Thiophanate-methylCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC
39765-80-5-JRC-0003014,7-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
40487-42-1254-938-2JRC-000285PendimethalinCCC(CC)Nc1c(cc(C)c(C)c1[N+](=O)[O-])[N+](=O)[O-]
63612-50-0-JRC-000213NilutamideN1(c2cc(c([N+](=O)[O-])cc2)C(F)(F)F)C(C(C)(C)NC1=O)=O
80-05-7201-245-8JRC-000178Bisphenol AC(C1C=CC(=CC=1)O)(C2=CC=C(C=C2)O)(C)C
84-74-2201-557-4JRC-000189Dibutyl PhthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC
13311-84-7236-341-9JRC-000199FlutamideCC(C)C(=O)NC1=CC(=C(C=C1)[N](=O)=O)C(F)(F)F
1746-01-6217-122-7JRC-000307Dibenzo[B,E][1,4]Dioxin, 2,3,7,8-Tetrachloro-Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl
1836-75-5217-406-0JRC-000275Benzene, 2,4-Dichloro-1-(4-Nitrophenoxy)-[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
2425-06-1219-363-3JRC-000313CaptafolClC(Cl)C(Cl)(Cl)SN1C(=O)[C@H]2CC=CC[C@@H]2C1=O
26002-80-2247-404-5JRC-000289Cyclopropanecarboxylic 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
28434-00-6249-013-5JRC-000295S-BioallethrinCC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C
298-46-4206-062-7JRC-000006CarbazepineNC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
33386-08-2251-489-4JRC-000373BuspironeO=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4
34256-82-1251-899-3JRC-000310AcetochlorCCOCN(C(=O)CCl)c1c(C)cccc1CC
52806-53-8-JRC-000203Hydroxyflutamidec1c(C(F)(F)F)c([N+](=O)[O-])ccc1NC(=O)C(O)(C)C
58-18-4200-366-3JRC-000209Methyltestosterone[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
73590-58-6615-996-8JRC-0002821h-Benzimidazole, 6-Methoxy-2-[[(4-Methoxy-3,5-Dimethyl-2-Pyridinyl)Methyl]Sulfinyl]-COc1ccc2nc([nH]c2c1)S(=O)Cc3ncc(C)c(OC)c3C
77501-63-4616-466-9JRC-000271LactofenCCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-]
83-79-4201-501-9JRC-000261RotenoneCOc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C
88-85-7201-861-7JRC-000277Phenol, 2-(1-Methylpropyl)-4,6-Dinitro-CCC(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
122-34-9204-535-2JRC-000296SimazineCCNc1nc(Cl)nc(NCC)n1
156052-68-5605-037-1JRC-000306ZoxamideCCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl
15972-60-8240-110-8JRC-000260AlachlorCCc1cccc(CC)c1N(COC)C(=O)CCl
2593-15-9219-991-8JRC-000279EstridiazoleCCOc1nc(ns1)C(Cl)(Cl)Cl
27314-13-2248-397-1JRC-000281NorflurazonCNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F
29091-21-2249-421-3JRC-000291ProdiamineCCCN(CCC)c1c(cc(c(N)c1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
4685-14-7225-141-7JRC-0002844,4'-Bipyridinium, 1,1'-Dimethyl-C[n+]1ccc(cc1)-c2cc[n+](C)cc2
50471-44-8256-599-6JRC-000232VinclozolinCC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C
52479-85-3257-945-9JRC-000280Methanone, (2,3,4-Trihydroxyphenyl)(3,4,5-Trihydroxyphenyl)-Oc1ccc(C(=O)c2cc(O)c(O)c(O)c2)c(O)c1O
5908-99-6611-792-8JRC-000004Atropine 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
60207-90-1262-104-4JRC-000292PropiconazoleCCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl
66-81-9200-636-0JRC-000008Cicloheximide[H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1
76578-14-8616-351-3JRC-000294Quizalofop-ethylCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
79-44-7201-208-6JRC-000276Carbamic Chloride, N,N-Dimethyl-CN(C)C(=O)Cl
79622-59-6616-712-5JRC-000262Fluazinam[O-][N+](=O)c1cc(c(Cl)c(c1Nc2ncc(cc2Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
10540-29-1234-118-0JRC-000227TamoxifenC(=C(/c1ccccc1)CC)(\c1ccc(OCCN(C)C)cc1)c1ccccc1
131341-86-1603-476-3JRC-000263FludioxonilFC1(F)Oc2cccc(c2O1)c3c[nH]cc3C#N
2164-17-2218-500-4JRC-000266FluomethuronCN(C)C(=O)Nc1cccc(c1)C(F)(F)F
357-57-3206-614-7JRC-000126Strychnidin-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]
42874-03-3255-983-0JRC-000283OxyfluorfenCCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-]
50-78-2200-064-1JRC-000003Acetylsalicylic AcidO=C(Oc(c(ccc1)C(=O)O)c1)C
60168-88-9262-095-7JRC-000194FenarimolOC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=C(Cl)C=CC=C1
68359-37-5269-855-7JRC-000316BaythroidCC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2
7447-40-7231-211-8JRC-000090Potassium Chloride[K+].[ClH-]
85-44-9201-607-5JRC-000136Phthalic AnhydrideO=C1OC(=O)c2ccccc12
115-09-3204-064-2JRC-000273Mercury, Chloromethyl- (8ci,9ci)C[Hg]Cl
1162-65-8214-603-3JRC-000105Aflatoxin B1COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCC5=O)c14
15687-27-1239-784-6JRC-000269Benzeneacetic Acid, α-Methyl-4-(2-Methylpropyl)-CC(C)Cc1ccc(cc1)C(C)C(=O)O
188489-07-8606-145-1JRC-000264Flufenpyr-EthylCCOC(=O)COc1cc(N2N=CC(=C(C)C2=O)C(F)(F)F)c(F)cc1Cl
1912-24-9217-617-8JRC-000175AtrazineCCNc1nc(Cl)nc(NC(C)C)n1
335-67-1206-397-9JRC-000287Perfluorooctanoic acidOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
3380-34-5222-182-2JRC-000303IrgasanOc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl
51-52-5200-103-2JRC-000168PropylthiouracilCCCc1cc(=O)[nH]c(=S)[nH]1
56-75-7200-287-4JRC-000089ChloramphenicolOC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N](=O)=O
57-24-9200-319-7JRC-000093Strychnine[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]
58-89-9200-401-2JRC-000069LindaneCl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
608-93-5210-172-0JRC-000059PentachlorobenzeneClc1cc(Cl)c(Cl)c(Cl)c1Cl
69-09-0200-701-3JRC-000037Chlorpromazine HydrochlorideN1(c2c(Sc3c1cccc3)ccc(c2)Cl)CCCN(C)C.Cl
87-86-5201-778-6JRC-000014PentachlorophenolOC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
87820-88-0618-075-9JRC-000300TralkoxidymCCON=C(CC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C
886-50-0212-950-5JRC-0002971,3,5-Triazine-2,4-Diamine, N2-(1,1-Dimethylethyl)-N4-Ethyl-6-(Methylthio)-CCNc1nc(NC(C)(C)C)nc(SC)n1
91465-08-6618-753-4JRC-000317Cyclopropanecarboxylic 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
103-90-2203-157-5JRC-0000024-Acetamidophenolc1(ccc(cc1)O)NC(=O)C
13292-46-1236-312-0JRC-000054Rifampicin[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
148-79-8205-725-8JRC-000298Thiabendazolec1ccc2[nH]c(nc2c1)c3cscn3
1698-60-8216-920-2JRC-000315PyrazonNC1=C(Cl)C(=O)N(N=C1)c2ccccc2
35554-44-0252-615-0JRC-000270ImazalilClc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1
463-77-4-JRC-000314Carbamic Acid (6ci,7ci,8ci,9ci)NC([O-])=O
52-86-8200-155-6JRC-000084HaloperidolOC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
52315-07-8257-842-9JRC-000318CypermethrinCC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2
57-41-0200-328-6JRC-000028PhenytoinO=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3
58-08-2200-362-1JRC-000005CaffeineO=C1C2=C(N=CN2C)N(C(=O)N1C)C
59865-13-3611-907-1JRC-000048Cyclosporine[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
88671-89-0618-198-8JRC-000274MyclobutanilCCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2
131983-72-7603-543-7JRC-000304TriticonazoleCC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn3cncn3
1675-54-3216-823-5JRC-000312Oxirane, 2,2'-[(1-Methylethylidene)Bis(4,1-Phenyleneoxymethylene)]Bis-CC(C)(c1ccc(OCC2CO2)cc1)c3ccc(OCC4CO4)cc3
19774-82-4243-293-2JRC-000044Amiodarone Hydrochloridec1(c2c(cccc2)oc1CCCC)C(c1cc(c(OCC[NH+](CC)CC)c(c1)I)I)=O.[ClH-]
303-47-9206-143-7JRC-000058Ochratoxin 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
329-63-5206-346-0JRC-000102(±)-Epinephrine Hydrochloridec1(cc(c(O)cc1)O)[C@@H](C[NH2+]C)O.[ClH-]
50-32-8200-028-5JRC-000100Benzo[Def]Chrysenec1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
79983-71-4616-763-3JRC-000268HexaconazoleCCCCC(O)(Cn1cncn1)c2ccc(Cl)cc2Cl
85509-19-9617-717-5JRC-000267FlusilazoleC[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3

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