1,2,3,5,5,8,9,10-Octadeuterio-6-hydroxy-6H-benzo[b][1]benzazepine-11-carboxamide

Synonyms: [2H8]-10-Hydroxy-10,11-dihydrocarbamazepine

Source: 1,2,3,5,5,8,9,10-Octadeuterio-6-hydroxy-6H-benzo[b][1]benzazepine-11-carboxamide is a metabolite of oxcarbazepine.

Identifiers:

IUPAC Name: 1,2,3,5,5,8,9,10-octadeuterio-6-hydroxy-6H-benzo[b][1]benzazepine-11-carboxamide
CAS Number: n/a
PubChem ID: 49849600
InChiKey: BMPDWHIDQYTSHX-UYHQKSDVSA-N
Canonical SMILES: C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O

Structural Properties:

Molecular Formula: C₁₅H₁₄N₂O₂
Molecular Weight: 262,330

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19

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Evidence Supporting This Chemical as an Emerging Contaminant

Voloshenko-Rossin, A., Gasser, G., Cohen, K., Gun, J., Cumbal-Flores, L., Parra-Morales, W., ... & Lev, O. (2015). Emerging pollutants in the Esmeraldas watershed in Ecuador: discharge and attenuation of emerging organic pollutants along the San Pedro?Guayllabamba?Esmeraldas rivers. Environmental Science: Processes & Impacts, 17(1), 41-53.

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