Betamethasone 17-Valerate
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
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| + | [http://crdd.osdd.net/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1022&show=SHOW-3D Show 3-D Structure] | ||
| + | {{Drugbox | ||
| + | | IUPAC_name = [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate | ||
| + | | CAS_number = | ||
| + | | CAS_supplemental = | ||
| + | | ATC_suffix = | ||
| + | | ATC_supplemental = | ||
| + | | PubChem = 16533 | ||
| + | | ChemSpiderID = | ||
| + | | chemical_formula =C<sub>2</sub><sub>7</sub>H<sub>3</sub><sub>7</sub>FO<sub>6</sub> | ||
| + | | molecular_weight = 476.58 | ||
| + | | smiles = CCCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO | ||
| + | | synonyms = Enterolactone | ||
| + | | density = | ||
| + | | melting_point = 183-184(EXP) | ||
| + | | boiling_point = | ||
| + | | solubility = 9.29(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 = | ||
| + | }} | ||
==Description== | ==Description== | ||
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The 17-valerate derivative of BETAMETHASONE. It has substantial topical anti-inflammatory activity and relatively low systemic anti-inflammatory activity. | The 17-valerate derivative of BETAMETHASONE. It has substantial topical anti-inflammatory activity and relatively low systemic anti-inflammatory activity. | ||
==General Properties== | ==General Properties== | ||
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*[http://www.drugbank.ca/drugs/DB00443]Drugbank | *[http://www.drugbank.ca/drugs/DB00443]Drugbank | ||
| - | [[ | + | [[Category:Hormones]] |
Current revision
|
|
| Betamethasone 17-Valerate
| |
| Systematic (IUPAC) name | |
| [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C27H37FO6 |
| Mol. mass | 476.58 |
| SMILES | & |
| Synonyms | Enterolactone |
| Physical data | |
| Melt. point | 183-184(EXP) °C |
| Solubility in water | 9.29(EXP) at 25oC mg/mL |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
The 17-valerate derivative of BETAMETHASONE. It has substantial topical anti-inflammatory activity and relatively low systemic anti-inflammatory activity.
[edit] General Properties
*Molecular Weight
476.58
*Molecular Formula
C27H37FO6
*IUPAC NAME
[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
*Canonical Smiles
CCCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO
*Isomeric Smiles
CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO
[edit] PhysioChemical Properties
*Melting Point
183-184(EXP)
*LogP
3.6(EXP)
*Water Solubility
9.29(EXP) at 25C
