Androstenedione

Synonyms: androstenedione, "4-Androstene-3,17-dione", "Androst-4-ene-3,17-dione", "63-05-8", "4-Androstenedione", "Androtex", "3,17-Dioxoandrost-4-ene", "delta-4-Androstenedione", "SKF 2170", "Fecundin", "4-androstene-3-17-dione", "delta-4-Androsten-3,17-dione", "delta-4-Androstene-3,17-dione", "Androstendione", "NSC 9563", "4-Androsten-3,17-dione", "delta-(sup4)-Androsten-3,17-dione", "delta(sup 4)-Androstene-3,17-dione", "17-Ketotestosterone", "d4-androstenedione"

Source: Androstenedione is a precursor of both testosterone and estrogens.

Identifiers:

IUPAC Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CAS Number: 63-05-8
PubChem ID: 6128
InChiKey: AEMFNILZOJDQLW-QAGGRKNESA-N
Canonical SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C

Structural Properties:

Molecular Formula: C₁₉H₂₆O₂
Molecular Weight: 286,400

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 21

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Evidence Supporting This Chemical as an Emerging Contaminant

Pal, A., Gin, K. Y. H., Lin, A. Y. C., & Reinhard, M. (2010). Impacts of emerging organic contaminants on freshwater resources: review of recent occurrences, sources, fate and effects. Science of the total environment, 408(24), 6062-6069.

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