TRANS-3/'-HYDROXYCOTININE, METHYL-D3

• CAT Number: M128405
• CAS Number: 159956-78-2
• Molecular Formula: C11H13D3N2O
• Molecular Weight: 195.28
• Purity: ≥95%
• Storage: -20°C
• IUPAC Name: (3R,5S)-3-hydroxy-5-pyridin-3-yl-1-(trideuteriomethyl)pyrrolidin-2-one
• InChI: InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1/i1D3
• InChIKey: XOKCJXZZNAUIQN-IRPRQUBLSA-N
• SMILES: [2H]C([2H])([2H])N1[C@@H](C[C@H](C1=O)O)C2=CN=CC=C2

TRANS-3′-Hydroxycotinine, methyl-D3, is a deuterated derivative of trans-3′-hydroxycotinine, a metabolite of nicotine. It is used primarily in pharmacokinetic and metabolic studies, particularly to trace the metabolism and clearance pathways of nicotine in biological systems. Deuterium substitution in this compound allows for precise tracking during analytical testing, aiding in understanding nicotine’s pharmacological behavior, metabolism rates, and potential interactions with other compounds. This makes it invaluable in pharmaceutical research aimed at developing smoking cessation therapies and understanding nicotine addiction mechanisms. In organic chemistry, it serves as a stable isotope-labeled standard for quantitative analysis in various biological matrices.