Basic information
- Standard SMILES
C[C@@H](NC(=O)O[C@]1(C(=O)CO)[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)c1ccccc1- InChIKey
BLPNJKOYOIDEJJ-GROVHKIUSA-N- Molecular formula
- C31H38FNO6
- Average molar mass
- 539.6 g/mol
Names & identifiers
- Preferred name
- (11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl (1R)-1-phenylethylcarbamate
- IUPAC
- [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] N-[(1R)-1-phenylethyl]carbamate
Names & synonyms
CHEMBL509182(11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl (1R)-1-phenylethylcarbamateSCHEMBL13317009BLPNJKOYOIDEJJ-GROVHKIUSA-NBDBM50272522
Database identifiers
- PubChem CID
- 44587250
- ChEMBL
CHEMBL509182
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
1 records
Compound notes
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