9-Chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
[2-[(6S,8S,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Clocortolone acetate|9-Chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate|(9xi)-9-Chloro-6alpha-fluoro-11beta-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate|[2-[(6S,8S,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
| Molecular Formula | C24H30ClFO5 |
|---|---|
| Molecular Weight | 452.17657 g/mol |
| LogP | 3.5689 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.17657 |
| Monoisotopic Mass | 452.17657 |
| Heavy Atoms | 31 |
| Complexity | 898.4006 |
Chemical Identifiers
| CAS Number | 4258-85-9 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@H]1C(=O)COC(=O)C)C)O)Cl)C)F |
Product Overview
9-Chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate (CAS 4258-85-9), with molecular formula C24H30ClFO5 and molecular weight 452.17657 g/mol. IUPAC: [2-[(6S,8S,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.