Norcodeine

Synonyms: Norcodeine, "N-Desmethylcodeine", "Norcodeinum", "Norcodeina", "(-)-N-Norcodeine", "UNII-32W9P3T4ML", "(-)-Norcodeine", "N-Norcodeine", "N-Demethylcodeine", "Normorphine 3-methyl ether", "EINECS 207-388-2", "7,8-Didehydro-4,5-alpha-epoxy-3-methoxymorphinan-6-alpha-ol", "NCGC00163182-01", "(4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol"

Source: Norcodeine is a metabolite of codeine.

Identifiers:

IUPAC Name: (4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CAS Number: 467-15-2
PubChem ID: 9925873
InChiKey: HKOIXWVRNLGFOR-KOFBORESSA-N
Canonical SMILES: COC1=C2C3=C(CC4C5C3(CCN4)C(O2)C(C=C5)O)C=C1

Structural Properties:

Molecular Formula: C₁₇H₁₉NO₃
Molecular Weight: 285,340

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 21

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Evidence Supporting This Chemical as an Emerging Contaminant

Bernot, M. J., Becker, J. C., Doll, J., & Lauer, T. E. (2016). A national reconnaissance of trace organic compounds (TOCs) in United States lotic ecosystems. Science of the Total Environment, 572, 422-433.

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2D-structure

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