Equilenin
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=1057&show=SHOW-3D Show 3-D Structure] | ||
| + | {{Drugbox | ||
| + | | IUPAC_name =(13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one | ||
| + | | CAS_number = 517-09-9 | ||
| + | | CAS_supplemental = | ||
| + | | ATC_suffix = | ||
| + | | ATC_supplemental = | ||
| + | | PubChem = 444865 | ||
| + | | ChemSpiderID = | ||
| + | | DrugBank = EXPT01356 | ||
| + | | chemical_formula =C<sub>1</sub><sub>8</sub>H<sub>1</sub><sub>8</sub>O<sub>2</sub> | ||
| + | | molecular_weight = 266.33 | ||
| + | | smiles = CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)O | ||
| + | | synonyms = 3-Hydroxy-1,3,5(10),6,8-estrapentaen-17-one | ||
| + | | density = | ||
| + | | melting_point = | ||
| + | | boiling_point = | ||
| + | | solubility = | ||
| + | | specific_rotation = | ||
| + | | sec_combustion = | ||
| + | | bioavailability = | ||
| + | | protein_bound = | ||
| + | | metabolism = | ||
| + | | elimination_half-life = | ||
| + | | excretion = | ||
| + | | pregnancy_category= | ||
| + | | dependency_liability = | ||
| + | | routes_of_administration = | ||
| + | }} | ||
An estrogenic steroid produced by HORSES. It has a total of five double bonds in the A- and B-ring. High concentration of equilenin is found in the URINE of pregnant mares. | An estrogenic steroid produced by HORSES. It has a total of five double bonds in the A- and B-ring. High concentration of equilenin is found in the URINE of pregnant mares. | ||
==General Properties== | ==General Properties== | ||
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C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)O | C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)O | ||
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Revision as of 04:35, 24 February 2009
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| Equilenin
| |
| Systematic (IUPAC) name | |
| (13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one | |
| Identifiers | |
| CAS number | |
| ATC code | ? |
| PubChem | |
| DrugBank | |
| Chemical data | |
| Formula | C18H18O2 |
| Mol. mass | 266.33 |
| SMILES | & |
| Synonyms | 3-Hydroxy-1,3,5(10),6,8-estrapentaen-17-one |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
An estrogenic steroid produced by HORSES. It has a total of five double bonds in the A- and B-ring. High concentration of equilenin is found in the URINE of pregnant mares.
General Properties
*Molecular Weight
266.33
*Molecular Formula
C18H18O2
*IUPAC NAME
(13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
*Canonical Smiles
CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)O
*Isomeric Smiles
C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)O
