Cyproterone acetate, ethinyl estradiol drug combination
Grundinformationen
- CAS
60528-19-0- Standard-SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C.CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
RWYFURDDADFSHT-RBBHPAOJSA-N- Summenformel
- C44H53ClO6
- Durchschnittliche Molmasse
- 713,3 g/mol
- Monoisotopische Masse
- 712,3530671
Namen und Bezeichner
- Bevorzugter Name
- Cyproterone acetate, ethinyl estradiol drug combination
- IUPAC
- [(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
Namen und Synonyme
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)
Weitere Namen anzeigen
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)
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 51
- Formalladung
- 0
- Komplexität
- 1.410
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationCompounds which inhibit or antagonize the biosynthesis or actions of androgens.
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