Basic information
- 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- Molecular formula
- C45H58O4
- Average molar mass
- 662.9 g/mol
- Monoisotopic mass
- 662.43351033
Overview
bisecurin tablets contain 1 mg ethynodiol acetate & 0.1 mg mestranol; see also bisecurin II
Names & identifiers
- Preferred 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
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
8056-92-6- PubChem CID
- 82151
Properties
Computed structural properties
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,240
Chemistry & industry
Pharmacology
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.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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