17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
Basic information
- CAS
61339-35-3- Standard SMILES
CC(=O)OCC(=O)[C@@]1(Br)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
WZVHJVJHMIMYHS-RPRRAYFGSA-N- Molecular formula
- C24H30BrFO5
- Average molar mass
- 497.4 g/mol
- Monoisotopic mass
- 496.12606
Names & identifiers
- Preferred name
- 17-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-bromo-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Names & synonyms
EINECS 262-715-661339-35-317-Bromo-9-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetateNS00052968
Database identifiers
- CAS
61339-35-3- PubChem CID
- 22798239
- EC Number
- 262-715-6
- Nikkaji
- J279.598A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 914
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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