4-Hydroxy-1-(3-pyridyl)-1-butanone-4,4-d2

• CAT Number: R000940
• CAS Number: 154603-21-1
• Molecular Formula: C9H11NO2
• Molecular Weight: 167.204
• Purity: ≥95%
• Synonyms: HPB-4,4-d2
• Storage: Room temperature
• IUPAC Name: 4,4-dideuterio-4-hydroxy-1-pyridin-3-ylbutan-1-one
• 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/i6D2
• InChIKey: KTXUGZHJVRHQGP-NCYHJHSESA-N
• SMILES: C1=CC(=CN=C1)C(=O)CCCO

4-Hydroxy-1-(3-pyridyl)-1-butanone-4,4-d2 is a deuterated form of a metabolite of nicotine, often studied in relation to tobacco exposure and its effects. In this compound, two hydrogen atoms at the 4,4 position are replaced with deuterium, making it useful in pharmacokinetic and metabolic studies. The deuterium labeling allows for precise tracking and analysis using mass spectrometry and NMR spectroscopy, aiding in research on nicotine metabolism, biomarker development, and related toxicological studies. Despite the isotopic substitution, it retains the same chemical properties as its non-deuterated counterpart.