CAS 36508-80-2

Cotinine N-oxide

Description:

Cotinine N-oxide, with the CAS number 36508-80-2, is a chemical compound that is a derivative of cotinine, which is a metabolite of nicotine. This substance is characterized by its molecular structure, which includes a pyridine ring and an N-oxide functional group. Cotinine N-oxide is typically found in biological systems as a product of the oxidation of cotinine, and it may exhibit different pharmacological properties compared to its parent compound. It is generally soluble in polar solvents due to the presence of the N-oxide group, which enhances its polarity. The compound is of interest in toxicology and pharmacology, particularly in studies related to nicotine metabolism and its effects on human health. Additionally, cotinine N-oxide may be investigated for its potential role as a biomarker for tobacco exposure. As with many chemical substances, safety data should be consulted to understand its handling and potential health effects.

Formula: C₁₀H₁₂N₂O₂

InChI: InChI=1/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1

InChI key: InChIKey=CIPULDKLIIVIER-VIFPVBQESA-N

SMILES: CN1[C@H](C2=CN(=O)=CC=C2)CCC1=O

Synonyms:

• (5S)-1-Methyl-5-(1-oxido-3-pyridinyl)-2-pyrrolidinone
• (5S)-1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one
• 2-Pyrrolidinone, 1-methyl-5-(1-oxido-3-pyridinyl)-, (5S)-
• 2-Pyrrolidinone, 1-methyl-5-(1-oxido-3-pyridinyl)-, (S)-
• 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, N-oxide, (S)-
• 3-[(2S)-1-Methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-olate
• 36508-80-2
• Cotinine N-oxide
• 1-methyl-5-(1-oxidopyridin-5-yl)-pyrrolidin-2-one
• (5S)-1-Methyl-5-[(pyridine 1-oxide)-3-yl]pyrrolidin-2-one
• Ccris 7626
• (5S)-1-Methyl-5-(1-oxidopyridin-3-yl)pyrrolidin-2-one
• 1-methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one
• 1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone N-Oxide

Cotinine N-Oxide

CAS: 36508-80-2

Formula: C₁₀H₁₂N₂O₂

Color and Shape: Off-White Solid

Molecular weight: 192.22

Ref: 4Z-C-556

(S)-Cotinine N-Oxide

CAS: 36508-80-2

(S)-Cotinine N-Oxide

Purity: ≥95%

Molecular weight: 192.21g/mol

Ref: 54-OR2520

(S)-Cotinine N-Oxide

Controlled Product

CAS: 36508-80-2

Stability Moisture Sensitive
Applications A major metabolite of Nicotine (N412450) in humans. Carcinogen.
References Oscarson, M., et al.: Drug Metab. Dispos., 29, 91 (2001), Ezzati, M., et al.: Lancet, 362, 271 (2003), Damaj, M., et al.: J. Pharmacol. Exp. Ther., 320, 250 (2007),

Formula: C₁₀H₁₂N₂O₂

Color and Shape: White To Light Yellow

Molecular weight: 192.21

Ref: TR-C725200