Quinestrol

From DrugPedia: A Wikipedia for Drug discovery

Contents 1 Description 2 General Properties 3 PhysioChemical Properties 4 External Links

[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

• [1]Pubchem
• [2]KEGG Compound
• [3]KEGG Drug
• [4]Drugbank