Product Code
TRC-H953000
CAS Number
Product Format
Neat
Molecular Formula
C9 H11 N O2
Molecular Weight
165.19
Product Categories
Product Type
MetabolitePurity
>95% (HPLC)
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Analyte Name
4-Hydroxy-1-(3-pyridyl)-1-butanone
CAS Number
59578-62-0
Molecular Formula
C9 H11 N O2
Molecular Weight
165.19
Accurate Mass
165.079
SMILES
OCCCC(=O)c1cccnc1
InChI
InChI=1S/C9H11NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2
IUPAC
4-hydroxy-1-pyridin-3-ylbutan-1-one
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
Purity
>95% (HPLC)
A tobacco-specific nitrosamine adduct and metabolite of NNK, 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone.
References: Kutzer, C., et al.: J. Chromatog. Sci., 35, 1 (1997), Prodhomme, E., et al.: Bioconjug. Chem., 18, 2045 (2007), Hoelzle, D., et al.: Toxicol., 232, 277 (2007), Hecht, S., et al.: Chem. Res. Toxicol., 20, 543 (2007),
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