Basic information
- Standard SMILES
CCCCCCCCCN(C)CCCCC[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CCC(=O)[C@@]1(C)C[C@@H]2F- InChIKey
WKIALJLXTQBQCM-FQJQHNOXSA-N- Molecular formula
- C33H52FNO2
- Average molar mass
- 513.8 g/mol
Names & identifiers
- Preferred name
- 11beta-Fluoro-3-hydroxy-7alpha-{5-[methyl-nonyl-amino]pentyl}oestra-1,3,5(10)-trien-17-one
- IUPAC
- (7R,8S,9S,11S,13S,14S)-11-fluoro-3-hydroxy-13-methyl-7-[5-[methyl(nonyl)amino]pentyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Names & synonyms
11beta-fluoro-3-hydroxy-7alpha-{5-[methyl-nonyl-amino)-pentyl}-estra-1,3,5(10)-trien-17-one11beta-fluoro-3-hydroxy-7alpha-{5-[methyl-nonyl-amino]-pentyl}-estra-1,3,5(10)-trien-17-oneSCHEMBL6854068WKIALJLXTQBQCM-FQJQHNOXSA-N11beta-fluoro-3-hydroxy-7alpha-{5-[methyl-nonyl-amino]pentyl}oestra-1,3,5(10)-trien-17-one
Database identifiers
- PubChem CID
- 69918018
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 714
Related reactions
4 records
Compound notes
Loading…