21-Chloro-9-fluoro-11beta,17-dihydroxy-16alpha-[(3-oxo-3-phenylprop-2-yl)oxy]pregna-1,4-diene-3,20-dione
Basic information
- Standard SMILES
CC(O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl)C(=O)c1ccccc1- InChIKey
GAIILILXPZWUQF-SWZMWZPSSA-N- Molecular formula
- C30H34ClFO6
- Average molar mass
- 545 g/mol
Names & identifiers
- Preferred name
- 21-Chloro-9-fluoro-11beta,17-dihydroxy-16alpha-[(3-oxo-3-phenylprop-2-yl)oxy]pregna-1,4-diene-3,20-dione
- IUPAC
- (8S,9R,10S,11S,13S,14S,16R,17S)-17-(2-chloroacetyl)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-16-(1-oxo-1-phenylpropan-2-yl)oxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
SCHEMBL11782184GAIILILXPZWUQF-SWZMWZPSSA-N21-Chloro-9-fluoro-11beta,17-dihydroxy-16alpha-[(3-oxo-3-phenylprop-2-yl)oxy]pregna-1,4-diene-3,20-dione
Database identifiers
- PubChem CID
- 86733751
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
1 records
Compound notes
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