Basic information
- Standard SMILES
CCNC(=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- InChIKey
PGQPSPSQMSIFKS-XGQKBEPLSA-N- Molecular formula
- C25H34FNO6
- Average molar mass
- 463.5 g/mol
Names & identifiers
- Preferred name
- (11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl ethylcarbamate
- 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-ethylcarbamate
Names & synonyms
CHEMBL500678(11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl ethylcarbamateSCHEMBL3622225PGQPSPSQMSIFKS-XGQKBEPLSA-NBDBM50272397
Database identifiers
- PubChem CID
- 9825650
- ChEMBL
CHEMBL500678
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 947
Related reactions
1 records
Compound notes
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