Halopredon
(6R,8S,10S,11S,13S,14S)-2-bromo-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: Halopredon|KST-1A6331|(6|A,9xi,11|A,17xi)-2-bromo-6,9-difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione|(6R,8S,10S,11S,13S,14S)-2-bromo-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H25BrF2O5 |
|---|---|
| Molecular Weight | 474.08533 g/mol |
| LogP | 2.32 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 474.08533 |
| Heavy Atoms | 29 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 5951-85-9 |
|---|---|
| SMILES | C[C@]12C[C@@H](C3([C@H]([C@@H]1CCC2(C(=O)CO)O)C[C@H](C4=CC(=O)C(=C[C@@]43C)Br)F)F)O |
Product Overview
Halopredon (CAS 5951-85-9), with molecular formula C21H25BrF2O5 and molecular weight 474.08533 g/mol. IUPAC: (6R,8S,10S,11S,13S,14S)-2-bromo-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
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