4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone (0.1 mg/mL in Methanol)

CAS: 764661-24-7

Ref. TR-KIT0770

Product Information

• Name: 4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone (0.1 mg/mL in Methanol)
• Synonyms: 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl-2,4,5,6-d4)-, N-Nitrosonornicotine-ketone D4 (pyridyl D4), 4-(Methylnitrosamino)-1-(3-pyridyl-d4)-1-butanone, 1-Butanone, 4-(Methylnitrosoamino)-1-(3-Pyridinyl-D_4_)-, 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl-2,4,5,6-d₄)-, 4-(Methylnitrosoamino)-1-(3-pyridinyl-2,4,5,6-d₄)-1-butanone
• CAS: 764661-24-7

Description

Stability Light Sensitive
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.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
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: 211.25
• Formula: C₁₀H₉D₄N₃O₂
• Color/Form: Colourless
• 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/i2D,4D,6D,8D
• InChI key: InChIKey=FLAQQSHRLBFIEZ-MNYIHESISA-N
• SMILES: [2H]c1nc([2H])c(C(=O)CCCN(C)N=O)c([2H])c1[2H]