Dexamethasone 21-bromoacetate
[2-[(8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate
Also Known As: Dexamethasone 21-bromoacetate|AC1L1Y8V|9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl bromoacetate|[2-[(8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate|(9xi)-9-Fluoro-11beta,17-dihydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl bromoacetate
| Molecular Formula | C24H30BrFO6 |
|---|---|
| Molecular Weight | 512.121 g/mol |
| LogP | 2.84 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.121 |
| Heavy Atoms | 32 |
| Complexity | 931.5 |
Chemical Identifiers
| CAS Number | 1764-73-4 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)CBr)O)C)O)F)C |
Product Overview
Dexamethasone 21-bromoacetate (CAS 1764-73-4), with molecular formula C24H30BrFO6 and molecular weight 512.121 g/mol. IUPAC: [2-[(8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-bromoacetate.
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