Desoxycorticosterone acetate
From DrugPedia: A Wikipedia for Drug discovery
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+ | [http://crdd.osdd.net/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1040&show=SHOW-3D Show 3-D Structure] | ||
+ | {{Drugbox | ||
+ | | 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 | ||
+ | | CAS_number = | ||
+ | | CAS_supplemental = | ||
+ | | ATC_suffix = | ||
+ | | ATC_supplemental = | ||
+ | | PubChem = 5952 | ||
+ | | ChemSpiderID = | ||
+ | | chemical_formula =C<sub>2</sub><sub>3</sub>H<sub>3</sub><sub>2</sub>O<sub>4</sub> | ||
+ | | molecular_weight = 372.5 | ||
+ | | smiles = CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C | ||
+ | | synonyms = Decosteron | ||
+ | | density = | ||
+ | | melting_point = 157(EXP) | ||
+ | | boiling_point = | ||
+ | | solubility = 8.73(EXP) at 25<sup>o</sup>C | ||
+ | | specific_rotation = | ||
+ | | sec_combustion = | ||
+ | | bioavailability = | ||
+ | | protein_bound = | ||
+ | | metabolism = | ||
+ | | elimination_half-life = | ||
+ | | excretion = | ||
+ | | pregnancy_category= | ||
+ | | dependency_liability = | ||
+ | | routes_of_administration = | ||
+ | }} | ||
21-Hydroxypregn-4-ene-3,20-dione. Desoxycorticosterone acetate (DOCA) is used as replacement therapy in ADDISON DISEASE. | 21-Hydroxypregn-4-ene-3,20-dione. Desoxycorticosterone acetate (DOCA) is used as replacement therapy in ADDISON DISEASE. | ||
==General Properties== | ==General Properties== | ||
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Current revision
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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