CASEINECSJRC CODEChemical NameSMILES
10161-33-8600-229-1Trenbolone[H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]
104-40-5203-199-4Phenol, 4-Nonyl-CCCCCCCCCc1ccc(O)cc1
10540-29-1234-118-0TamoxifenC(=C(/c1ccccc1)CC)(\c1ccc(OCCN(C)C)cc1)c1ccccc1
115-32-2204-082-0DicofolOC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
117-81-7204-211-0Dioctyl PhthalateCCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC
120-47-8204-399-4EthylparabenCCOC(=O)c1ccc(O)cc1
13311-84-7236-341-9FlutamideCC(C)C(=O)NC1=CC(=C(C=C1)[N](=O)=O)C(F)(F)F
140-66-9205-426-24-Tert-OctylphenolCC(C)(C)CC(C)(C)c1ccc(O)cc1
143-50-0205-601-3ChlordeconeClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl
16561-29-8605-413-5Phorbol 12-Myristate 13-Acetate[H][C@@]12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@@]1([H])[C@@H]3C(C)(C)[C@]3(OC(C)=O)[C@H](OC(=O)CCCCCCCCCCCCC)[C@@H](C)[C@]21O
1912-24-9217-617-8AtrazineCCNc1nc(Cl)nc(NC(C)C)n1
206-44-0205-912-4FluorantheneC1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3
2062-78-4218-171-7PimozideFC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=C1C=CC=C2)C1=CC=C(F)C=C1
26628-22-8247-852-1Sodium Azide (Na(N3))[N-]=[N+]=[N-].[Na+]
32809-16-8251-233-1ProcymidoneCC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1
330-55-2206-356-5LinuronCON(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1
427-51-0207-048-3Cyproterone Acetate[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(Cl)C2=CC(=O)[C@@H]3C[C@@H]3[C@]12C
434-22-0207-101-0Nandrolone[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
446-72-0207-174-9 GenisterinOc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O
479-13-0207-525-6 CoumestrolOC1=CC=C2C(OC3=C2C(=O)OC2=CC(O)=CC=C32)=C1
480-40-0207-549-7 Chrysin (6ci)Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3
486-66-8207-635-4 Daidzein (6ci)Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O
50-02-2200-003-9Dexamethasone[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
50-06-6200-007-0PhenobarbitalCCC1(C(=O)NC(=O)NC1(=O))c2ccccc2
50-22-6200-019-6Corticosterone[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
50-28-2200-023-8Estradiol[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1([C@H](CC2)O)C
50-41-9200-035-3Clomifen Dihydrogen CitrateCCN(CC)CCOc1ccc(cc1)\C(=C(\Cl)/c2ccccc2)\c3ccccc3
50-55-5200-047-9Reserpinec12[C@@H]3[N@@](C[C@H]4C[C@@H](OC(c5cc(c(OC)c(c5)OC)OC)=O)[C@@H]([C@H]([C@@H]4C3)C(OC)=O)OC)CCc1c1ccc(cc1[nH]2)OC
50-76-0200-063-6Dactinomycin[H][C@@]12CCCN1C(=O)C(NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C
501-36-0610-504-8ResveratrolOC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1
50471-44-8256-599-6VinclozolinCC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C
51-48-9200-101-1Dl-ThyroxinN[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O
51-52-5200-103-2PropylthiouracilCCCc1cc(=O)[nH]c(=S)[nH]1
52-01-7200-133-6Spironolactone[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SC(C)=O
52-86-8200-155-6HaloperidolOC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
520-18-3208-287-63,4',5,7-TetrahydroxyflavoneOC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
520-36-5208-292-3 ApigeninOc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2
521-18-6208-307-3Androstanolone[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C
525-82-6208-383-8FlavoneO=C1C=C(Oc2ccccc12)c3ccccc3
52806-53-8-Hydroxyflutamidec1c(C(F)(F)F)c([N+](=O)[O-])ccc1NC(=O)C(O)(C)C
53-16-7200-164-5Estrone[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
53-70-3200-181-8Dibenz[A,H]Anthracenec1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23
56-53-1200-278-5DiethylstilbestrolCC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
566-48-3-FormestaneC1[C@H]2[C@H]([C@H]3[C@@](C(=O)CC3)(C)C1)CCC=1[C@@]2(CCC(C1O)=O)C
57-63-6200-342-2Ethinylestradiol[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
57-83-0200-350-6Progesterone[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
57-91-0200-354-8 α-Estradiol C1[C@H]2[C@@H]3[C@@H](c4c(cc(O)cc4)CC3)CC[C@@]2([C@@H](O)C1)C
58-00-4200-360-0Apomorphinec12c3c4c(ccc(c4O)O)C[C@H]1[N@@](CCc2ccc3)C
58-18-4200-366-3Methyltestosterone[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
58-22-0200-370-5Testosterone[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
599-64-4209-968-0 4-CumylphenolCC(C)(c1ccccc1)c2ccc(O)cc2
60168-88-9262-095-7FenarimolOC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=C(Cl)C=CC=C1
604-75-1210-076-9OxazepamOC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O
63-05-8200-554-5Androst-4-Ene-3,17-Dione[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
63612-50-0-NilutamideN1(c2cc(c([N+](=O)[O-])cc2)C(F)(F)F)C(C(C)(C)NC1=O)=O
65277-42-1265-667-4KetoconazoleCC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1
654055-01-3-Morin HydrateOC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O.[H]O[H]
66-81-9200-636-0Cicloheximide[H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1
68-23-5200-682-1Noretynodrel[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3
68047-06-3-Trans-4-Hydroxytamoxifenc1c(O)ccc(\C(c2ccc(cc2)OCCN(C)C)=C(\c2ccccc2)CC)c1
71-58-9200-757-9Medroxyprogesterone Acetate[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C
72-43-5200-779-9MethoxychlorCOc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl
72-55-9200-784-64,4'-DDEClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl
76-43-7200-961-8Fluoxymesterone[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C
77-40-7201-025-1 Bisphenol BCCC(C)(c1ccc(O)cc1)c2ccc(O)cc2
7790-98-9232-235-1Ammonium PerchlorateCl(=O)(=O)(=O)[O-].[NH4+]
789-02-6212-332-5o,p'-DDTClc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl
80-05-7201-245-8Bisphenol AC(C1C=CC(=CC=1)O)(C2=CC=C(C=C2)O)(C)C
81-90-3201-384-4 Phenolphthalin (6ci)OC(=O)c1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3
82640-04-8-Raloxifene Hydrochloridec1(c(c2ccc(O)cc2)sc2c1ccc(c2)O)C(c1ccc(OCCN2CCCCC2)cc1)=O.Cl
84-16-2201-518-1 HexestrolCC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
84-74-2201-557-4Dibutyl PhthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC
84371-65-3617-559-7Mifepristone[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]
85-68-7201-622-7Benzyl Butyl PhthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1
89-72-5201-933-82-Sec-ButylphenolCCC(C)c1ccccc1O
90357-06-5618-534-3BicalutamideCC(O)(C[S](=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
93-76-5202-273-32,4,5-Tc1(c(cc(Cl)c(c1)Cl)Cl)OCC(O)=O
98319-26-7-FinasterideC1[C@H]2[C@H]3[C@@H]([C@@]4([C@H](NC(=O)C=C4)CC3)C)CC[C@@]2([C@H](C(NC(C)(C)C)=O)C1)C