Quinestrol

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==Description==
==Description==
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[http://172.141.127.22/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1109&show=SHOW-3D Show 3-D Structure]
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The 3-cyclopentyl ether of ETHINYL ESTRADIOL. After gastrointestinal  absorption, it is stored in ADIPOSE TISSUE, slowly released, and  metabolized principally to the parent compound. It has been used in  ESTROGEN REPLACEMENT THERAPY. (From AMA Drug Evaluations Annual, 1992,  p1011)
The 3-cyclopentyl ether of ETHINYL ESTRADIOL. After gastrointestinal  absorption, it is stored in ADIPOSE TISSUE, slowly released, and  metabolized principally to the parent compound. It has been used in  ESTROGEN REPLACEMENT THERAPY. (From AMA Drug Evaluations Annual, 1992,  p1011)
==General Properties==
==General Properties==
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*[http://www.drugbank.ca/drugs/DB04575]Drugbank
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Current revision

Contents

[edit] Description

Show 3-D Structure

The 3-cyclopentyl ether of ETHINYL ESTRADIOL. After gastrointestinal absorption, it is stored in ADIPOSE TISSUE, slowly released, and metabolized principally to the parent compound. It has been used in ESTROGEN REPLACEMENT THERAPY. (From AMA Drug Evaluations Annual, 1992, p1011)

[edit] General Properties

*Molecular Weight

364.52

*Molecular Formula

C25H32O2

*IUPAC NAME

(8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

*Canonical Smiles

CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5CCCC5

*Isomeric Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC5CCCC5


[edit] PhysioChemical Properties

*Melting Point

107.5(EXP)

*LogP

6.460 (EST)

*Water Solubility


[edit] External Links