Nicotine

Synonyms: nicotine, "L-Nicotine", "(-)-Nicotine", "(S)-Nicotine", "(S)-3-(1-methylpyrrolidin-2-yl)pyridine", "(S)-(-)-Nicotine", "Habitrol", "Nicoderm", "Nicotrol", "3-[(2S)-1-methylpyrrolidin-2-yl]pyridine", "Micotine", "Fumetobac", "Nicotine polacrilex", "Flux MAAG", "Ortho N-5 dust", "Ortho N-4 dust", "XL All Insecticide", "Nicorette", "Prostep", "Destruxol orchid spray", "Nicotrol Inhaler", "Nicotrol NS", "3-(N-Methylpyrollidino)pyridine"

Source: nicotine is a potent parasympathomimetic alkaloid found in the nightshade family of plants (Solanaceae) and a stimulant drug. Nicotine is used in cigarettes and is the main reason people become addicted. It is also used medicinally in nicotine replacement therapies such as nicotine patch and nicotine gum.

Identifiers:

IUPAC Name: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CAS Number: 54-11-5
PubChem ID: 89594
InChiKey: SNICXCGAKADSCV-JTQLQIEISA-N
Canonical SMILES: CN1CCCC1C2=CN=CC=C2

Structural Properties:

Molecular Formula: C₁₀H₁₄N₂
Molecular Weight: 162,230

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 12

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Evidence Supporting This Chemical as an Emerging Contaminant

Riva, F., Castiglioni, S., Fattore, E., Manenti, A., Davoli, E., & Zuccato, E. (2018). Monitoring emerging contaminants in the drinking water of Milan and assessment of the human risk. International journal of hygiene and environmental health, 221(3), 451-457.

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