4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone-13C6

CAS: 1346600-19-8

Ref. TR-M325749

Product Information

• Name: 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone-13C6
• Synonyms: N-methyl-N-(4-oxo-4-(2,3,4,5,6-13C5)pyridin-3-yl(413C)butyl)nitrous amide

Description

Applications Labelled NNK (M325750). This compound was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. It is likely to be important in the etiology of cancers of the lung, oral cavity, and pancreas in people who use tabacco products. Readily produces cancer in rats and hamsters. Carcinogen.
References Koenigs, L., et al.: Drug Metab. Dispos., 25, 1407 (1997), Gu, J., et al.: Toxicol. Appl. Pharmacol., 165, 158 (2000), Jalas, J., et al.: Chem. Res. Toxicol., 18, 95(2005), Zhu, L., et al.: Drug Metab. Dispos., 34, 1672(2006),

• Brand: TRC

Chemical properties

• Molecular weight: 213.185
• Formula: C₆C₄H₁₃N₃O₂
• Color/Form: Neat
• InChI: InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3/i2+1,4+1,6+1,8+1,9+1,10+1
• InChI key: InChIKey=FLAQQSHRLBFIEZ-NXGVJODUSA-N
• SMILES: CN(CCC[13C](=O)[13c]1[13cH][13cH][13cH]n[13cH]1)N=O