184446
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.
Signal Word
Warning
Hazard Statements
Precautionary 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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