title: Hydrogen-deuterium (h-d) exchange reaction of warfarin in D(2)O solution.
abstract: To prove the presence of a hydrogen-deuterium (H-D) exchange reaction, (1)H- and (13)C-NMR spectra of warfarin were measured in solvents containing D(2)O and H(2)O. In D(2)O or D(2)O/dimethyl sulfoxide (DMSO)-d(6) solvent, signal pattern changes were observed on H12 and H11 as well as 14 methyl protons over time while no changes were observed on H(2)O or H(2)O/DMSO-d(6) solvent. The observed changes in the solvents containing D(2)O were concluded to be caused by the H-D exchange reaction on H12, the process of CH(2)-->CHD-->CD(2). MS spectroscopy also confirmed these H-D exchanges. The kinetics of this reaction were analyzed as the successive reaction, and the mechanism was also proposed.
authors: Kobe Pharmaceutical University.
authors: Chisato
authors: C
authors: Tode
authors: Atsuko
authors: A
authors: Takeuchi
authors: Seigo
authors: S
authors: Iwakawa
authors: Akitoshi
authors: A
authors: Tatsumi
authors: Makiko
authors: M
authors: Sugiura
mesh_terms: D041961:Deuterium Exchange Measurement; D017666:Deuterium Oxide / Q000737:chemistry*; D004121:Dimethyl Sulfoxide / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D014859:Warfarin / Q000737:chemistry*; D014867:Water / Q000737:chemistry
chemical_list: D014867:Water; D014859:Warfarin; D017666:Deuterium Oxide; D004121:Dimethyl Sulfoxide