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184446

3-Pyridylcarbinol N-oxide

Name: 3-Pyridylcarbinol <I>N</I>-oxide
Brand: ALDRICH

97%

Synonym(s):

3-Pyridinemethanol N-oxide

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About This Item

Empirical Formula (Hill Notation):

C₆H₇NO₂

CAS Number:

6968-72-5

Molecular Weight:

125.13

NACRES:

NA.22

PubChem Substance ID:

24851114

UNSPSC Code:

12352100

EC Number:

230-187-6

MDL number:

MFCD00006204

Assay:

97%

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Properties

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

Description

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

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Analysis of human urine for pyridine-N-oxide metabolites of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone, a tobacco-specific lung carcinogen.

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

Global Trade Item Number

SKU	GTIN
184446-5G	04061833313152