Algestone
From DrugPedia: A Wikipedia for Drug discovery
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| + | {{Drugbox | ||
| + | | IUPAC_name = (8R,9S,10R,13S,14S,16R,17S)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | ||
| + | | CAS_number = | ||
| + | | CAS_supplemental = | ||
| + | | ATC_suffix = BA03 | ||
| + | | ATC_supplemental = | ||
| + | | PubChem = 11687 | ||
| + | | ChemSpiderID = | ||
| + | | chemical_formula =C<sub>2</sub><sub>1</sub>H<sub>3</sub><sub>0</sub>O<sub>4</sub> | ||
| + | | molecular_weight = 346.46 | ||
| + | | smiles = CC(=O)C1(C(CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)O | ||
| + | | synonyms = Algestonum | ||
| + | | melting_point = 225(EXP) | ||
| + | | boiling_point = | ||
| + | | solubility = | ||
| + | | specific_rotation = | ||
| + | | sec_combustion = | ||
| + | | bioavailability = | ||
| + | | protein_bound = | ||
| + | | metabolism = | ||
| + | | elimination_half-life = | ||
| + | | excretion = | ||
| + | | pregnancy_category= | ||
| + | | dependency_liability = | ||
| + | | routes_of_administration = | ||
| + | }} | ||
| + | [http://172.141.127.22/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1011&show=SHOW-3D Show 3-D Structure] | ||
==Description== | ==Description== | ||
A synthetic progestational dihydroxy derivative of PROGESTERONE. Its acetonide possesses anti-inflammatory properties. | A synthetic progestational dihydroxy derivative of PROGESTERONE. Its acetonide possesses anti-inflammatory properties. | ||
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Current revision
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| Algestone
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| Systematic (IUPAC) name | |
| (8R,9S,10R,13S,14S,16R,17S)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H30O4 |
| Mol. mass | 346.46 |
| SMILES | & |
| Synonyms | Algestonum |
| Physical data | |
| Melt. point | 225(EXP) °C |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
A synthetic progestational dihydroxy derivative of PROGESTERONE. Its acetonide possesses anti-inflammatory properties.
[edit] General Properties
*Molecular Weight
346.46
*Molecular Formula
C21H30O4
*IUPAC NAME
(8R,9S,10R,13S,14S,16R,17S)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
*Canonical Smiles
CC(=O)C1(C(CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)O
*Isomeric Smiles
CC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O
[edit] PhysioChemical Properties
*Melting Point
225(EXP)
*LogP
3.15(EST)
*Water Solubility
