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184446

Sigma-Aldrich

3-Pyridylcarbinol N-oxide

97%

Synonym(s):

3-Pyridinemethanol N-oxide

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About This Item

Empirical Formula (Hill Notation):
C6H7NO2
CAS Number:
Molecular Weight:
125.13
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

mp

87-89 °C (lit.)

SMILES string

OCc1ccc[n+]([O-])c1

InChI

1S/C6H7NO2/c8-5-6-2-1-3-7(9)4-6/h1-4,8H,5H2

InChI key

LQYJAVWWKTWWKN-UHFFFAOYSA-N

Application

3-Pyridylcarbinol N-oxide was used to develop a series of urinary biomarkers to assess the metabolic activation and detoxification of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone in humans.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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S G Carmella et al.
Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology, 6(2), 113-120 (1997-02-01)
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) is a potent pulmonary carcinogen in rodents and is believed to be a causative factor for lung cancer in smokers. NNK also may be involved in oral cancer etiology in users of smokeless tobacco products. Pyridine-N-oxidation of NNK

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