1-(3-Pyridyl-d4)-1,4-butanediol

CAS: 76014-83-0

Ref. TR-P992504

Produktinformation

• Name: 1-(3-Pyridyl-d4)-1,4-butanediol
• Synonyme: 4-Hydroxy-4-(3-pyridyl-d4)-butan-1-ol, 4-Hydroxy-4-(3-pyridyl-d4-butanol, 1,4-Butanediol, 1-(3-Pyridinyl)-, 1-(3-Pyridinyl)-1,4-butanediol, 1-(3-Pyridyl)-1,4-butanediol, 4-Hydroxy-4-(3-pyridyl)-butan-1-ol, 4-Hydroxy-4-(3-pyridyl)-butanol

Beschreibung

Applications 1-(3-Pyridyl-d4)-1,4-butanediol is the labeled analogue of 1-(3-Pyridyl)-1,4-butanediol (P992500), a metabloite of NNK (M325750), a carcinogen that readily produces cancer in rats and hamsters.
References Koenigs, L., et al.: Drug Metab. Dispos., 25, 1407 (1997); Gu, J., et al.: Toxicol. Appl. Pharmacol., 165, 158 (2000); Jalas, J., et al.: Chem. Res. Toxicol., 18, 95(2005); Zhu, L., et al.: Drug Metab. Dispos., 34, 1672(2006)

• Marke: TRC

Chemische Eigenschaften

• Molekulargewicht: 171.23
• Formel: C₉H₉D₄NO₂
• Farbe/Form: Neat
• InChl: InChI=1S/C9H13NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9,11-12H,2,4,6H2/i1D,3D,5D,7D
• InChI Key: InChIKey=RGJHRVMTLGLFPX-DNZPNURCSA-N
• SMILES: [2H]c1nc([2H])c(C(O)CCCO)c([2H])c1[2H]