Bisecurin I
Grundinformationen
- CAS
8056-92-6- Standard-SMILES
C#C[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](C(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C.C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C- InChIKey
AASAWNXPEPEGKH-PSLSKESDSA-N- Summenformel
- C45H58O4
- Durchschnittliche Molmasse
- 662,9 g/mol
- Monoisotopische Masse
- 662,43351033
Überblick
bisecurin tablets contain 1 mg ethynodiol acetate & 0.1 mg mestranol; see also bisecurin II
Namen und Bezeichner
- Bevorzugter Name
- Bisecurin I
- IUPAC
- 1-[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanone;(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Namen und Synonyme
Bisecurin IMetrulenSynchrovetEthynodiol diacetate-mestranol8056-92-6BisecurinFH 02719-Norpregn-4-en-20-yne-3beta,17alpha-diol diacetate mixt. with 3-methoxy-19-norpregna-1,3,5(10) trien-20-yn-17alpha-olRefChem:329954Ethynodiol diacetate-mestranol mixture19-norpregn-4-en-20-yne-3 beta,17 alpha-diol diacetate mixt. with 3-methoxy-19-norpregna-1,3,5(10) trien-20-yn-17 alpha-olAngravid
Weitere Namen anzeigen
OvarasSCHEMBL297781621-[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanone;(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol19-Norpregn-4-en-20-yne-3,17-diol, diacetate, (3beta,17alpha)-, mixt. with (17alpha)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
Datenbank-Bezeichner
- CAS
8056-92-6- PubChem CID
- 82151
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 49
- Formalladung
- 0
- Komplexität
- 1.240
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Fixed drug combinations administered orally for contraceptive purposes.
Oral contraceptives which owe their effectiveness to hormonal preparations.
Oral contraceptives which owe their effectiveness to synthetic preparations.
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