Desoxycorticosterone
From DrugPedia: A Wikipedia for Drug discovery
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Description
21-Hydroxypregn-4-ene-3,20-dione. Desoxycorticosterone acetate (DOCA) is used as replacement therapy in ADDISON DISEASE.
General Properties
*Molecular Weight
330.46
*Molecular Formula
C21H30O3
*IUPAC NAME
(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
*Canonical Smiles
CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C
*Isomeric Smiles
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C
PhysioChemical Properties
*Melting Point
141.5(EXP)
*LogP
2.88(EXP)
*Water Solubility
59.5(EXP) at 37C
