6-Acetylmorphine

Synonyms: 6-Acetylmorphine, "6-O-Monoacetylmorphine", "O(sup 6)-Monoacetylmorphine", "Monoacetylmorphine", "Morphine 6-acetate", "6-O-Acetylmorphine", "O6-Monoacetylmorphine", "6-MAM", "7,8-Didehydro-4,5alpha-epoxy-17-methylmorphinan-3,6alpha-diol 6-acetate", "Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, 6-acetate", "O6-Acetylmorphine", "6-Acetylmorphine solution"

Source: 6-Acetylmorphine is a metabolite specific to heroin.

Identifiers:

IUPAC Name: [(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
CAS Number: 2784-73-8
PubChem ID: 5462507
InChiKey: JJGYGPZNTOPXGV-SSTWWWIQSA-N
Canonical SMILES: CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C

Structural Properties:

Molecular Formula: C₁₉H₂₁NO₄
Molecular Weight: 327,400

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 5
Number of atoms different from hydrogen: 24

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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