Basic information
- CAS
50880-57-4- Standard SMILES
C[C@@H]1C=C2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12- InChIKey
ATHXJJBGDYIFLL-UQYBFTDGSA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Overview
synthetic anti-progestational steroid; with anti-uterotrophic and gonadotropin-inhibiting activity; structure
Names & identifiers
- Preferred name
- (7alpha,17beta)-17-Hydroxy-7-methylandrost-5-en-3-one
- IUPAC
- (7S,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
RMI-12936RMI 12,93650880-57-417-beta-hydroxy-7 alpha-methyl-androst-5-en-3-one17-beta-hydroxy-7-alpha-methyl-5-androstene-3-oneRefChem:90627417 beta-hydroxy-7 alpha-methylandrost-5-en-3-oneandrost-5-en-3-one, 17-hydroxy-7-methyl-, (7 alpha,17 beta)-(7alpha,17beta)-17-hydroxy-7-methylandrost-5-en-3-oneAndrost-5-en-3-one, 17-hydroxy-7-methyl-, (7alpha,17beta)-Rmi 1293617-beta-Hydroxy-7-alpha-methylandrost-5-en-3-one
Show more names
17beta-Hydroxy-7alpha-methylandrost-5-en-3-one(7S,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneSCHEMBL3363944DTXSID50965115ANDROST-5-EN-3-ONE, 17-HYDROXY-7-METHYL-, (7-alpha,17-beta)-17-hydroxy-7-methylandrost-5-en-3-one17b-hydroxy-7a-methylandrost-5-en-3-one
Database identifiers
- CAS
50880-57-4- PubChem CID
- 39832
- DTXSID
DTXSID50965115- Nikkaji
- J60.381C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…