Dihydrocodeine

Synonyms: Hydrocodeine, "Codhydrine", "Cohydrin", "Dehacodin", "Nadeine", "Novicodin", "Dihydroneopine", "alpha-Hydrocodol", "6alpha-Hydrocodol", "6-alpha-Hydrocodol", "Hydrocodin", "Paracodin", "Drocode", "(-)-Dihydrocodeine", "Rapacodin", "Novicondin", "Dihydrocodeinum [INN-Latin]", "Didrate", "Parzone", "Dihydrin", "Paracodine"

Source: Dihydrocodeine is a semi-synthetic opioid analgesic prescribed for pain or severe dyspnea, or as an antitussive.

Identifiers:

IUPAC Name: (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CAS Number: 125-28-0
PubChem ID: 5284543
InChiKey: RBOXVHNMENFORY-DNJOTXNNSA-N
Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)O

Structural Properties:

Molecular Formula: C₁₈H₂₃NO₃
Molecular Weight: 301,400

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 4
Number of atoms different from hydrogen: 22

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Evidence Supporting This Chemical as an Emerging Contaminant

Edwards, Q. A., Sultana, T., Kulikov, S. M., Garner-O?Neale, L. D., Yargeau, V., & Metcalfe, C. D. (2018). Contaminants of emerging concern in wastewaters in Barbados, West Indies. Bulletin of environmental contamination and toxicology, 101(1), 1-6.

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2D-structure

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