Basic information
- CAS
66170-12-5- Standard SMILES
CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
UJCIAYKVFFBSLE-FJCZRMHDSA-N- Molecular formula
- C21H29FO4
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.20498756
Overview
9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione is a corticosteroid hormone.
Names & identifiers
- Preferred name
- 9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione
- IUPAC
- (8S,9R,10S,11S,13S,14S,16R,17R)-17-acetyl-9-fluoro-11,16-dihydroxy-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione66170-12-5CHEMBL3250364CHEBI:79881DTXSID901181535Progesterone,16.alpha.-dihydroxy-NSC44447NSC-44447(8S,9R,10S,11S,13S,14S,16R,17R)-17-acetyl-9-fluoro-11,16-dihydroxy-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-oneQ27149025Pregn-4-ene-3, 9-fluoro-11,16-dihydroxy-, (11.beta.,16.alpha.)-Pregn-4-ene-3,20-dione, 9-fluoro-11,16-dihydroxy-, (11I(2),16I+/-)-
Database identifiers
- CAS
66170-12-5- PubChem CID
- 239406
- DTXSID
DTXSID901181535- ChEMBL
CHEMBL3250364- ChEBI
CHEBI:79881- Nikkaji
- J2.794.272E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 702
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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