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产品信息
Chemical Data
分析物名称
1-(3-Pyridyl)-1-butanol-4-carboxylic Acid Na+/NH4+ Salt
分子式
C9H10NO3- • Na+/NH4+
分子量
180.1822991804
SMILES
OC(CCC([O-])=O)C1=CC=CN=C1
InChI
InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)/p-1
备用CAS登记号
Free acid: 15569-97-8
产品数据
Product Description
1-(3-Pyridyl)-1-butanol-4-carboxylic Acid Na+/NH4+ Salt is a metabolite of 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) (M325750), which is a major carcinogen, found in cigarette smoke.
References: Hecht, S., et al.: Chem. Res. Toxicol., 11, 559 (1998); Hecht, S., et al.: Carcinogenesis, 23, 907 (2002); Sasco, A., et al.: Lung Cancer, 45, S3 (2004);
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