ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-
Basic information
- CAS
68159-85-3- Standard SMILES
CSC1(SC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
KQBDCBFJWHSHIP-WVBSATCKSA-N- Molecular formula
- C21H29FO2S2
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.15930067
Names & identifiers
- Preferred name
- ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-
- IUPAC
- (8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-17,17-bis(methylsulfanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-68159-85-3SQ 14,150(11-beta)-17,17-Bis(methylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one(10-beta,13-beta)-17,17-Bis(methylthio)-9-alpha-fluoro-11-beta-hydroxyandrosta-1,4-dien-3-oneSCHEMBL9569095DTXSID10218336KQBDCBFJWHSHIP-WVBSATCKSA-N9-Fluoro-11beta-hydroxy-17,17-bis(methylsulfanyl)androsta-1,4-dien-3-one9-fluoro-11beta-hydroxy-17,17-bis(methylthio)androsta-1,4-diene-3-one9-fluoro-11beta-hydroxy-17,17-bis-(methylthio)androsta-1,4-diene-3-one
Database identifiers
- CAS
68159-85-3- PubChem CID
- 50095
- DTXSID
DTXSID10218336
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 700
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Related reactions
4 records
Compound notes
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