Desoxycorticosterone acetate
From DrugPedia: A Wikipedia for Drug discovery
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| Desoxycorticosterone acetate
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| Systematic (IUPAC) name | |
| [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C23H32O4 |
| Mol. mass | 372.5 |
| SMILES | & |
| Synonyms | Decosteron |
| Physical data | |
| Melt. point | 157(EXP) °C |
| Solubility in water | 8.73(EXP) at 25oC mg/mL |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
21-Hydroxypregn-4-ene-3,20-dione. Desoxycorticosterone acetate (DOCA) is used as replacement therapy in ADDISON DISEASE.
[edit] General Properties
*Molecular Weight
372.5
*Molecular Formula
C23H32O4
*IUPAC NAME
[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
*Canonical Smiles
CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
*Isomeric Smiles
CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
[edit] PhysioChemical Properties
*Melting Point
157(EXP)
*LogP
3.08(EXP)
*Water Solubility
8.73(EXP) at 25C
