Clobetasone butyrate
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=1030&show=SHOW-3D Show 3-D Structure] |
| + | |||
| + | {{Drugbox | ||
| + | | IUPAC_name = [(8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] butanoate | ||
| + | | CAS_number = | ||
| + | | CAS_supplemental = | ||
| + | | ATC_suffix = | ||
| + | | ATC_supplemental = | ||
| + | | PubChem = 71386 | ||
| + | | ChemSpiderID = | ||
| + | | chemical_formula =C<sub>2</sub><sub>6</sub>H<sub>3</sub><sub>2</sub>ClFO<sub>5</sub> | ||
| + | | molecular_weight = 478.98 | ||
| + | | smiles =CCCC(=O)OC1(C(CC2C1(CC(=O)C3(C2CCC4=CC(=O)C=CC43C)F)C)C)C(=O)CCl | ||
| + | | synonyms = Enterolactone | ||
| + | | density = | ||
| + | | melting_point = 90-100(EXP) | ||
| + | | boiling_point = | ||
| + | | solubility = 0.6(EST) 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 = | ||
| + | }} | ||
==General Properties== | ==General Properties== | ||
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Current revision
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| Clobetasone butyrate
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| Systematic (IUPAC) name | |
| [(8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] butanoate | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C26H32ClFO5 |
| Mol. mass | 478.98 |
| SMILES | & |
| Synonyms | Enterolactone |
| Physical data | |
| Melt. point | 90-100(EXP) °C |
| Solubility in water | 0.6(EST) at 25oC mg/mL |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
[edit] General Properties
*Molecular Weight
478.98
*Molecular Formula
C26H32ClFO5
*IUPAC NAME
[(8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] butanoate
*Canonical Smiles
CCCC(=O)OC1(C(CC2C1(CC(=O)C3(C2CCC4=CC(=O)C=CC43C)F)C)C)C(=O)CCl
*Isomeric Smiles
CCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)C)C)C(=O)CCl
[edit] PhysioChemical Properties
*Melting Point
90-100(EXP)
*LogP
3.76(EXP)
*Water Solubility
0.6(EST) at 25C
