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CAS 64091-91-4

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

Description:
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone, commonly referred to as NNK, is a potent carcinogenic compound primarily associated with tobacco products. It is a nitrosamine, a class of compounds known for their cancer-causing properties, particularly in the lungs and other organs. NNK is characterized by its molecular structure, which includes a pyridine ring and a butanone moiety, contributing to its biological activity. The compound is typically formed during the curing and processing of tobacco. NNK is known to undergo metabolic activation in the body, leading to the formation of reactive intermediates that can bind to DNA, resulting in mutagenic changes. Its presence in tobacco smoke is a significant factor in the increased risk of lung cancer among smokers. Due to its toxicological profile, NNK is a subject of extensive research, particularly in studies related to cancer biology and the mechanisms of tobacco-induced carcinogenesis. Regulatory agencies monitor its levels in tobacco products to assess health risks associated with smoking.
Formula:C10H13N3O2
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
InChI key:InChIKey=FLAQQSHRLBFIEZ-UHFFFAOYSA-N
SMILES:C(CCCN(N=O)C)(=O)C=1C=CC=NC1
Synonyms:
  • 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-
  • 4-(Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-(Methylintrosamino)-1-(3-pyridyl)-1-butanone
  • 4-(Methylnitrosamine)-1-(3-pyridyl)-1-butanone
  • 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone
  • 4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanone
  • 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-[(Nitrosomethyl)Amino]-1-(Pyridin-3-Yl)Butan-1-One
  • 4-[Methyl(Nitroso)Amino]-1-(Pyridin-3-Yl)Butan-1-One
  • See more synonyms
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