Cyproterone acetate, ethinyl estradiol drug combination
[(1S,2S,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;(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
Molecular Identity
Cyproterone acetate, ethinyl estradiol drug combination
[(1S,2S,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;(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
PubChem CID: 107694
2D Structure
Properties
C44H53ClO6
Molecular Formula
713.30
Molecular Weight
g/mol
712.3531
Exact Mass
Da
101
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
1410
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OIsomeric SMILES
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5CC5[C@]34C)Cl)C)OC(=O)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OSynonyms(13)
60528-19-0Cyproterone acetate, ethinyl estradiol drug combinationRefChem:336376Diane-35Shb 209 AEDiane-35 DiarioDTXSID40975940Cyproterone acetate - ethinyl estradiolSCHEMBL29455623[(1S,2S,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;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-, mixt. with (17alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol(1R,3aS,3bR,7aR,8bS,8cS,10aS)-1-Acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate--17alpha-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol (1/1)1-Acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate--19-norpregna-1(10),2,4-trien-20-yne-3,17-diol (1/1)
Data from PubChem (NCBI)
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Molecular Structure
Cyproterone acetate, ethinyl estradiol drug combination
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Drug Network
Trials and conditions connected to Cyproterone acetate, ethinyl estradiol drug combination
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