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CAS 486-56-6

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Cotinine

Description:
Cotinine is a naturally occurring alkaloid and a major metabolite of nicotine, primarily found in tobacco. It is classified as a pyridine derivative and has a molecular formula of C10H12N2O. Cotinine is typically a colorless to pale yellow liquid with a characteristic odor and is soluble in water, alcohol, and organic solvents. Its structure features a pyridine ring, which contributes to its pharmacological properties. Cotinine is often used as a biomarker for tobacco exposure due to its relatively long half-life compared to nicotine, making it useful in studies related to smoking cessation and tobacco use. The substance exhibits mild psychoactive effects and has been studied for its potential therapeutic applications, including neuroprotective properties. Additionally, cotinine has been investigated for its role in modulating the effects of nicotine on the central nervous system. Safety data indicate that cotinine has low toxicity, but its effects can vary based on dosage and individual sensitivity.
Formula:C10H12N2O
InChI:InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
InChI key:InChIKey=UIKROCXWUNQSPJ-VIFPVBQESA-N
SMILES:CN1[C@@H](CCC1=O)C=2C=CC=NC2
Synonyms:
  • (5R)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
  • (5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
  • (5S)-1-Methyl-5-pyridin-3-ylpyrrolidin-2-one
  • (5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
  • (S)-(-)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone
  • (S)-Cotinine
  • 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-
  • 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-
  • Cotinin
  • Cotinina
  • See more synonyms
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