1-Benzyl-3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium-d2 Bromide

• CAT Number: R030050
• CAS Number: 82896-37-5
• Molecular Formula: C₁₅H₁₆D₂BrNO₃
• Molecular Weight: 342.22
• Purity: ≥95%
• Storage: Store at -20°C
• IUPAC Name: 1-benzyl-5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-methylpyridin-1-ium-3-ol;bromide
• InChI: InChI=1S/C15H17NO3.BrH/c1-11-15(19)14(10-18)13(9-17)8-16(11)7-12-5-3-2-4-6-12;/h2-6,8,17-18H,7,9-10H2,1H3;1H/i9D2
• InChIKey: XZFGDAKNUZWNFO-PWLDLRDISA-N
• SMILES: [2H]C([2H])(C1=C[N+](=C(C(=C1CO)O)C)CC2=CC=CC=C2)O.[Br-]

1-Benzyl-3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium-d2 Bromide is a deuterated form of a pyridinium compound, labeled with two deuterium atoms. This high-purity isotopically labeled compound is particularly useful in research focused on organic chemistry, pharmacology, and biochemical studies. It is employed in mass spectrometry and NMR spectroscopy to investigate the metabolic pathways, structural analysis, and interaction mechanisms of pyridinium salts in biological systems. The deuterium labeling enhances the accuracy of analytical data, making 1-Benzyl-3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium-d2 Bromide a valuable tool for researchers studying the properties and applications of pyridinium-based compounds in various scientific disciplines.