Steroids and derivatives
Isoflupredone, TRC
CAS: 338-95-4 Molecular Formula: C21 H27 F O5 Molecular Weight (g/mol): 378.43 Synonym: Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11β)-,Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy- (8CI),9-Fluoroprednisolone,9α-Fluoro-δ1-cortisol,Isoflupredone,NSC 12174,δ-Fluorocortisone IUPAC Name: (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one SMILES: C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Prednisone, TRC
CAS: 53-03-2 Molecular Formula: C21 H26 O5 Molecular Weight (g/mol): 358.43 Synonym: Prednisone,17,21-Dihydroxypregna-1,4-diene-3,11,20-trione,Prednisolone Imp. B (EP),1,2-Dehydrocortisone,1,4-Pregnadiene-17α,21-diol-3,11,20-trione,1-Dehydrocortisone,17,21-Dihydroxypregn-1,4-diene-3,11,20-trione,17,21-Dihydroxypregna-1,4-diene-3,11,20-trione,17α,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione,Adasone,Ancortone,Apo-Prednisone,Bicortone,Cartancyl,Colisone,Cordrol,Cortan,Cortidelt,Dacorten,Dacortin,Decortancyl,Decortin,Decortisyl,Dehydrocortisone,Dekortin,Delcortin,Dellacort,Dellacort A,Delta E,Delta-Cortelan,Delta-Dome,Deltacortene,Deltacortisone,Deltacortone,Deltasone,Deltison,Deltisona,Deltisone,Deltra,Di-Adreson,Drazone,Econosone,Encorton,Encortone,Enkorton,Fernisone,Hostacortin,Liquid Pred,Me-Korti,Metacortandracin,Meticorten,NSC 10023,Nisona,Nurison,Orasone,Panafcort,Panasol,Paracort,Parmenison,Pehacort,Prednicen M,Prednicorm,Prednicort,Prednicot,Prednidib,Prednilonga,Predniment,Prednison,Prednitone,Pronison,Pulmison,Rectodelt,Retrocortine,Sone,Sterapred,Supercortil,Ultracorten,Ultracortene,Uniplen,Winpred,δ-Cortisone,δ1-Cortisone,δ1-Dehydrocortisone 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 SMILES: C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Desoxymetasone, TRC
CAS: 382-67-2 Molecular Formula: C22 H29 F O4 Molecular Weight (g/mol): 376.46 Synonym: 9-Fluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione,Dexamethason Impurity F,: Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,21-dihydroxy-16α-methyl- (7CI,8CI),17-Deoxydexamethasone,17-Deoxymethasone,17-Desoximethasone,9-Fluoro-16α-methyl-δ1-corticosterone,9α-Fluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione,A 41-304,A 41304,Deoxymethasone,Desoximetasone,Desoximethasone,Desoxymetasone,Desoxymethasone,Esperson,HOE 304,R 2113,Stidex,Topicort,Topicorte,Topisolon IUPAC Name: (8S,9R,10S,11S,13S,14S,16R,17S)-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 SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
Lynestrenol, TRC
CAS: 52-76-6 Molecular Formula: C20 H28 O Molecular Weight (g/mol): 284.44 Synonym: Lynestrenol,19-Nor-17α-pregn-4-en-20-yn-17-ol,19-Norpregn-4-en-20-yn-17-ol, (17α)-,19-Nor-17α-pregn-4-en-20-yn-17-ol (6CI,8CI),17-Ethynylestr-4-en-17β-ol,17α-Ethinyl-17β-hydroxy-δ4-estrene,17α-Ethynyl-17β-hydroxy-δ4-estrene,17α-Ethynyl-17β-hydroxyestr-4-ene,17α-Ethynyl-19-nor-4-androsten-17β-ol,17α-Ethynylestr-4-en-17β-ol,17α-Ethynylestrenol,3-Desoxy-17α-ethinyl-19-nortestosterone,3-Desoxynorlutin,Ethynylestrenol,Exlutena,Exluton,Exlutona,Fysionorm,Linestrenol,Lynestrenol,NSC 37725,NSC 73879,Org 485-50,Orgametil,Orgametril,Orgametrol,Ovamezzo,Ovoresta,Ovoresta M,Physiostat,δ4-17α-Ethinylestren-17β-ol 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 SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
Campestanol, TRC
CAS: 474-60-2 Molecular Formula: C28 H50 O Molecular Weight (g/mol): 402.7 Synonym: Ergostan-3-ol, (3β,5α,24R)-,5α-Ergostan-3β-ol, (24R)- (8CI),Campestanol (7CI),(3β,5α,24R)-Ergostan-3-ol,24β-Ethylcholestanol,24β-Methylcholestanol,5α-Dihydrocampesterol,Chalinastanol,Neospongosterol, dihydro-,Dihydrocampesterin,(24R)-3-ß-Hydroxy-24-methyl-5a-cholestane,(24R)-5α-Ergostan-3β-ol,Dihydro-neospongosterol,CAMP IUPAC Name: (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R,4R)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Cloprednol, TRC
CAS: 5251-34-3 Molecular Formula: C21 H25 Cl O5 Molecular Weight (g/mol): 392.87 Synonym: Pregna-1,4,6-triene-3,20-dione, 6-chloro-11β,17,21-trihydroxy- (7CI,8CI),(11β)-6-Chloro-11,17,21-trihydroxypregna-1,4,6-triene-3,20-dione,Cloprednol,Cloprednole,Cloradryn,Novacort,RS 4691,Synestan IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-6-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one SMILES: C[C@]12C[C@H](O)[C@H]3[C@@H](C=C(Cl)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Diflorasone, TRC
CAS: 2557-49-5 Molecular Formula: C22 H28 F2 O5 Molecular Weight (g/mol): 410.45 Synonym: Diflorasone,Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,17,21-trihydroxy-16-methyl-, (6α,11β,16β)-,Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,17,21-trihydroxy-16β-methyl- (8CI),(6α,11β,16β)-6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,16S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one SMILES: C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Estriol, TRC
CAS: 50-27-1 Molecular Formula: C18 H24 O3 Molecular Weight (g/mol): 288.38 Synonym: Estriol,(16α,17β)-Estra-1,3,5(10)-triene-3,16,17-triol,13β-Methyl-1,3,5(10)-gonatriene-3,16α,17β-triol,16α,17β-Estriol,16α-Estriol,16α-Hydroxyestradiol,3,16α,17β-Estriol,3,16α,17β-Trihydroxyestra-1,3,5(10)-triene,Aacifemine,Colpogyn,Destriol,Estra-1,3,5(10)-triene-3,16α,17β-triol,Estratriol,Follicular hormone hydrate,Gynasan,Holin V,Hormomed,Incurin,Klimax E,Klimoral,NSC 12169,OE3,Oekolp,Oestriol,Ortho-Gynest,Ovesterin,Ovestin,Ovo-Vinces,Theelol,Tridestrin,Trihydroxyestrin,Triovex 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 SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
Aldosterone, TRC
CAS: 52-39-1 Molecular Formula: C21 H28 O5 Molecular Weight (g/mol): 360.44 Synonym: Pregn-4-en-18-al, 11,21-dihydroxy-3,20-dioxo-, (11β)-,Aldosterone (8CI),(+)-Aldosterone,11β,21-Dihydroxy-3,20-diketo-4-pregnen-18-al,11β,21-Dihydroxy-3,20-diketopregn-4-ene-18-al,11β,21-Dihydroxypregn-4-ene-3,18,20-trione,18-Formyl-11β,21-dihydroxy-4-pregnene-3,20-dione,18-Oxocorticosterone,Aldocorten,Aldocortene,Aldocortin,Electrocortin,Elektrocortin,NSC 73856,Reichstein X,d-Aldosterone 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 SMILES: C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@]4(C[C@H](O)[C@H]23)C=O
Halometasone, TRC
CAS: 50629-82-8 Molecular Formula: C22 H27 Cl F2 O5 Molecular Weight (g/mol): 444.9 Synonym: (6alpha,11beta,16alpha)-2-Chloro-6,9-difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione,2-Chloro-6alpha,9-difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione,2-Chloroflumethasone,Ba 48401,C 48401Ba,Halometasone,Halomethasone,Sicorten IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,16R,17R)-2-chloro-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)Cl
Ethisterone, TRC
CAS: 434-03-7 Molecular Formula: C21 H28 O2 Molecular Weight (g/mol): 312.45 Synonym: Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17α)-,17α-Pregn-4-en-20-yn-3-one, 17-hydroxy- (6CI,8CI),Testosterone, 17-ethynyl- (5CI),17-Ethynyl-17-hydroxy-3-ketoandrostene-4,17-Ethynyl-17β-hydroxyandrost-4-en-3-one,17-Hydroxy-17α-pregn-4-en-20-yn-3-one,17α-Ethynyl-17-hydroxyandrost-4-en-3-one,17α-Ethynyl-17β-hydroxy-4-androsten-3-one,17α-Ethynyl-4-androsten-17β-ol-3-one,17α-Ethynyltestosterone,17β-Hydroxy-17α-ethynylandrost-4-en-3-one,17β-Hydroxy-17α-pregn-4-en-20-yn-3-one,4-Androsten-17α-ethinyl-17β-ol-3-one,Aethisteron,Anhydrohydroxyprogesterone,Anhydroxyprogesterone,Colutoid,Ethinone,Ethinyltestosterone,Ethisterone,Ethynyltestosterone,Gestoral,Lucorteum Oral,Lutidon Oral,Lutocyclin-Linguetten,Lutocyclol,Lutocylol,NSC 9565,Nalutoral,Nugestoral,Ora-Lutin,Pranone,Pregn-4-en-17β-ol-3-on-20-yne,Pregneninolone,Pregnin,Primolut C,Prodoxan,Prodroxan,Produxan,Progestab,Progestin P,Progestolets,Progestoral,Prolutol,Proluton C,Prone,Syngestrotabs,Trosinone IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)C#C
Ergosterol, TRC
CAS: 57-87-4 Molecular Formula: C28 H44 O Molecular Weight (g/mol): 396.65 Synonym: Ergosta-5,7,22-trien-3-ol, (3β,22E)-,Ergosterol (8CI),(3β,22E)-Ergosta-5,7,22-trien-3-ol,(22E,24R)-Ergosta-5,7,22-trien-3β-ol,(24R)-Ergosta-5,7,22-trien-3β-ol,24-Methylcholesta-5,7,22-trien-3β-ol,24R-Methylcholesta-5,7,22E-trien-3β-ol,24α-Methyl-22E-dehydrocholesterol,3β-Hydroxyergosta-5,7,22-triene,Ergosterin,Provitamin D,Provitamin D2 IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Norgestrel, TRC
CAS: 6533-00-2 Molecular Formula: C21 H28 O2 Molecular Weight (g/mol): 312.45 Synonym: Norgestrel,rac-13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one,18,19-Dinor-17α-pregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (±)- (8CI),(±)-13-Ethyl-17α-ethynyl-17-hydroxygon-4-en-3-one,(±)-17α-Ethynyl-13-ethyl-17-hydroxygon-4-en-3-one,(±)-17α-Ethynyl-13β-ethylgon-4-en-17β-ol-3-one,(±)-Norgestrel,13-Ethyl-17α-ethynyl-17β-hydroxy-4-gonen-3-one,DL-Norgestrel,FH 122A,Methylnorethindrone,Monovar,Neogest,Norgestrel,Ovrette,Postinor,SH 70850,SH 850,Wy 3707,dl-11β-Ethyl-17α-ethynyl-17β-hydroxygon-4-en-3-one,dl-13-β-Ethyl-17-α-ethynyl-17-β-hydroxygon-4-en-3-one,dl-Norgestrel,α-Norgestrel 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 SMILES: CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
Fluocinolone, TRC
CAS: 807-38-5 Molecular Formula: C21 H26 F2 O6 Molecular Weight (g/mol): 412.42 Synonym: Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,16,17,21-tetrahydroxy-, (6α,11β,16α)-,Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,16α,17,21-tetrahydroxy- (6CI,7CI,8CI),(6α,11β,16α)-6,9-Difluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione,16α-Hydroxy-6α,9-difluoroprednisolone,6α-Fluorotriamcinolone,Fluocinolone,6α,9-Difluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one SMILES: C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
Peimine, TRC
CAS: 23496-41-5 Molecular Formula: C27 H45 N O3 Molecular Weight (g/mol): 431.65 Synonym: Cevane-3,6,20-triol, (3β,5α,6α)-,5α-Cevane-3β,6α,20-triol (8CI),Verticine (6CI,7CI),(3β,5α,6α)-Cevane-3,6,20-triol,Dihydroisoimperialine,Peimine SMILES: C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@@H]4C[C@H]5[C@@H](C[C@H](O)[C@H]6C[C@@H](O)CC[C@]56C)[C@@H]4CC[C@@H]3[C@]2(C)O