3a,16a-Dihydroxyandrostenone

From DrugPedia: A Wikipedia for Drug discovery

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

[edit] Description

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3a,16a-Dihydroxyandrostenone is the most abundant single urinary metabolite of 16a-hydroxydehydroisoandrosterone (PMID 6049445), present in normal, non-pregnant human. It was found in the urine sample from a patient who had an inoperable asymptomatic adrenal carcinoma and who excreted about 5 mg/day (PMID 4733093)

[edit] General Properties

*Molecular Weight

304.42

*Molecular Formula

C₁₉H₂₈O₃

*IUPAC NAME

(3a,16a)-3,16-dihydroxy-Androst-5-en-17-one

*Canonical Smiles

CC12CC(O)CC1C3CCC4CC(O)=CC(=O)C4(C)C3CC2

*Isomeric Smiles

C[C@@]12C[C@H](O)C[C@H]1[C@@H]3CCC4CC(O)=CC(=O)[C@]4(C)[C@H]3CC2

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]Human Metabolome DataBase