Dienestrol
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
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</jmol> | </jmol> | ||
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| + | [http://crdd.osdd.net/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1045&show=SHOW-3D Show 3-D Structure] | ||
| + | {{Drugbox | ||
| + | | IUPAC_name = 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol | ||
| + | | CAS_number = 84-17-3 | ||
| + | | CAS_supplemental = | ||
| + | | ATC_suffix = | ||
| + | | ATC_supplemental = | ||
| + | | PubChem = 667476 | ||
| + | | ChemSpiderID = | ||
| + | | DrugBank = APRD00917 | ||
| + | | 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 = CC=C(C1=CC=C(C=C1)O)C(=CC)C2=CC=C(C=C2)O | ||
| + | | synonyms = alpha-Dienestrol | ||
| + | | density = | ||
| + | | melting_point = 227.5(EXP) | ||
| + | | boiling_point = | ||
| + | | solubility = 3(EXP) at 37<sup>o</sup>C | ||
| + | | specific_rotation = | ||
| + | | sec_combustion = | ||
| + | | bioavailability = | ||
| + | | protein_bound = 50 to 80% | ||
| + | | metabolism = | ||
| + | | elimination_half-life = | ||
| + | | excretion = | ||
| + | | pregnancy_category= | ||
| + | | dependency_liability = | ||
| + | | routes_of_administration = | ||
| + | }} | ||
A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms. | A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms. | ||
==General Properties== | ==General Properties== | ||
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*[http://www.drugbank.ca/drugs/DB00890]Drugbank | *[http://www.drugbank.ca/drugs/DB00890]Drugbank | ||
| - | [[ | + | [[Category:Hormones]] |
Current revision
|
|
| Dienestrol
| |
| Systematic (IUPAC) name | |
| 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol | |
| Identifiers | |
| CAS number | |
| ATC code | ? |
| PubChem | |
| DrugBank | |
| Chemical data | |
| Formula | C18H18O2 |
| Mol. mass | 266.33 |
| SMILES | & |
| Synonyms | alpha-Dienestrol |
| Physical data | |
| Melt. point | 227.5(EXP) °C |
| Solubility in water | 3(EXP) at 37oC mg/mL |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Protein binding | 50 to 80% |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms.
[edit] General Properties
*Molecular Weight
266.33
*Molecular Formula
C18H18O2
*IUPAC NAME
4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
*Canonical Smiles
CC=C(C1=CC=C(C=C1)O)C(=CC)C2=CC=C(C=C2)O
*Isomeric Smiles
CC=C(/C1=CC=C(C=C1)O)C(=CC)C2=CC=C(C=C2)O
[edit] PhysioChemical Properties
*Melting Point
227.5(EXP)
*LogP
5.32(EST)
*Water Solubility
3(EXP) at 37C
