N-Demethyl Ivabradine-d4 Hydrochloride

• CAT Number: R050410
• CAS Number: 1346600-74-5
• Molecular Formula: C26H35ClN2O5
• Molecular Weight: 497.062
• Purity: ≥95%
• Synonyms: 3-[3-[[[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]amino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-3-benzazepin-2-one-d4 Hydrochloride; N-Demethylivabradine-d4 Hydrochloride; S 18982-d4
• Storage: Store at -20°C
• IUPAC Name: 3-[1,1,2,2,3,3-hexadeuterio-3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
• InChI: InChI=1S/C26H34N2O5.ClH/c1-30-22-11-17-6-9-28(26(29)14-18(17)12-23(22)31-2)8-5-7-27-16-20-10-19-13-24(32-3)25(33-4)15-21(19)20;/h11-13,15,20,27H,5-10,14,16H2,1-4H3;1H/t20-;/m1./s1/i5D2,7D2,8D2
• InChIKey: MIIIKWNQFDQJGS-OTVKAUOOSA-N
• SMILES: COC1=C(C=C2CC(=O)N(CCC2=C1)CCCNCC3CC4=CC(=C(C=C34)OC)OC)OC.Cl

N-Demethyl Ivabradine-d4 Hydrochloride is a deuterated form of N-Demethyl Ivabradine, a metabolite of the heart rate-lowering drug Ivabradine. In this version, four hydrogen atoms are replaced with deuterium, enhancing its utility in pharmacokinetic and metabolic studies. The deuterium labeling allows for precise tracking and analysis using mass spectrometry and NMR spectroscopy. The hydrochloride salt form improves the compound’s solubility and stability. Despite the isotopic substitution, N-Demethyl Ivabradine-d4 retains the same pharmacological properties as the non-deuterated form, making it valuable for research into the drug’s metabolism and effects.