Betamethasone 17-Valerate
From DrugPedia: A Wikipedia for Drug discovery
|
|
| Betamethasone 17-Valerate
| |
| Systematic (IUPAC) name | |
| [(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] pentanoate | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C27H37FO6 |
| Mol. mass | 476.58 |
| SMILES | & |
| Synonyms | Enterolactone |
| Physical data | |
| Melt. point | 183-184(EXP) °C |
| Solubility in water | 9.29(EXP) at 25oC mg/mL |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
The 17-valerate derivative of BETAMETHASONE. It has substantial topical anti-inflammatory activity and relatively low systemic anti-inflammatory activity.
[edit] General Properties
*Molecular Weight
476.58
*Molecular Formula
C27H37FO6
*IUPAC NAME
[(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] pentanoate
*Canonical Smiles
CCCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO
*Isomeric Smiles
CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO
[edit] PhysioChemical Properties
*Melting Point
183-184(EXP)
*LogP
3.6(EXP)
*Water Solubility
9.29(EXP) at 25C
