4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone

CAS: 86270-92-0

Ref. TR-M325752

Product Information

• Name: 4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanone
• Synonyms: 4-[(N-Methyl-d3)-N-nitrosamino]-1-(3-pyridyl)-1-butanone, NNK-d3
• CAS: 86270-92-0

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.
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: 210.25
• Formula: C₁₀H₁₀D₃N₃O₂
• Color/Form: Off-White to Light Brown Solid
• 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/i1D3
• InChI key: InChIKey=FLAQQSHRLBFIEZ-FIBGUPNXSA-N
• SMILES: [2H]C([2H])([2H])N(CCCC(=O)c1cccnc1)N=O