Codeine

Synonyms: codeine, "Methylmorphine", "Codeine anhydrous", "Codicept", "l-Codeine", "Coducept", "Morphine monomethyl ether", "Morphine 3-methyl ether", "(-)-Codeine", "O3-Methylmorphine", "codeinum", "Morphine-3-methyl ether", "Codein", "Norcodine, N-methyl", "Norcodeine, N-methyl", "CODEINE BASE", "Codeine polistirex", "codeina", "O(3)-methylmorphine", "Morphine-3-methyl ester"

Source: Codeine is a opioid pain medicine used to treat mild to moderate pain.

Identifiers:

IUPAC Name: (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CAS Number: 76-57-3
PubChem ID: 5284371
InChiKey: OROGSEYTTFOCAN-DNJOTXNNSA-N
Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O

Structural Properties:

Molecular Formula: C₁₈H₂₁NO₃
Molecular Weight: 299,400

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

Du, B., Price, A. E., Scott, W. C., Kristofco, L. A., Ramirez, A. J., Chambliss, C. K., ... & Brooks, B. W. (2014). Comparison of contaminants of emerging concern removal, discharge, and water quality hazards among centralized and on-site wastewater treatment system effluents receiving common wastewater influent. Science of the Total environment, 466, 976-984.

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