Cotinine

Synonyms: cotinine, "(-)-Cotinine", "486-56-6", "Cotinina", "Cotininum", "(S)-Cotinine", "(S)-(-)-Cotinine", "(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one", "Cotinine (-)", "(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone", "(S)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone", "S(-)-1-Methyl-5-(3-pyridyl)-2-pyrrolidone", "(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one".

Source: Cotinine is a nicotine metabolite present in small amounts in tobacco, and it is nicotine's main metabolite in humans.

Identifiers:

IUPAC Name: (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
CAS Number: 486-56-6
PubChem ID: 854019
InChiKey: UIKROCXWUNQSPJ-VIFPVBQESA-N
Canonical SMILES: CN1C(CCC1=O)C2=CN=CC=C2

Structural Properties:

Molecular Formula: C₁₀H₁₂N₂O
Molecular Weight: 176.21

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 13

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Evidence Supporting This Chemical as an Emerging Contaminant

Hammouda, S. B., Salazar, C., Zhao, F., Ramasamy, D. L., Laklova, E., Iftekhar, S., ... & Sillanp??, M. (2019). Efficient heterogeneous electro-Fenton incineration of a contaminant of emergent concern-cotinine-in aqueous medium using the magnetic double perovskite oxide Sr2FeCuO6 as a highly stable catalayst: Degradation kinetics and oxidation products.?Applied Catalysis B: Environmental,?240, 201-214.

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