9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione
Basic information
- CAS
61046-49-9- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C- InChIKey
CTXGUGSLVSMAHY-AJMINZBYSA-N- Molecular formula
- C22H31FO3
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.22572301
Overview
9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione is a corticosteroid hormone.
Names & identifiers
- Preferred name
- 9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione
- IUPAC
- (2R,8S,9R,10S,11S,13S,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-2,10,13-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione61046-49-99alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesteroneCHEMBL3250358CHEBI:79871DTXSID309765429.alpha.-Fluoro-11.beta.-hydroxy-2.alpha.-methylprogesteroneNSC21636NSC-21636(2R,8S,9R,10S,11S,13S,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-2,10,13-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one9-fluoro-11-hydroxy-2-methylpregn-4-ene-3,20-dioneQ27149011
Show more names
Progesterone, 9-fluoro-11.beta.-hydroxy-2.alpha.-methyl-9-Fluoro-11beta-hydroxy-2alpha-methylpregn-4-ene-3,20-dionePregn-4-ene-3, 9-fluoro-11-hydroxy-2-methyl-, (2.alpha.,11.beta.)-
Database identifiers
- CAS
61046-49-9- PubChem CID
- 228601
- DTXSID
DTXSID30976542- ChEMBL
CHEMBL3250358
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 700
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Related reactions
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Compound notes
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