Itraconazole-d5 (major)

• CAT Number: R003310
• CAS Number: 1217510-38-7
• Molecular Formula: C35H38Cl2N8O4
• Molecular Weight: 710.67
• Purity: ≥95%
• Synonyms: (+/-)-4-[4-[4-[4-[[(2R,4S)-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl-d5)-3H-1,2,4-triazol-3-one; Itrizole-d5; Oriconazole-d5; R-51211-d5; Sporamelt-d5; S
• Storage: Store at -20°C
• IUPAC Name: 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one
• InChI: InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1/i1D3,3D2
• InChIKey: VHVPQPYKVGDNFY-VXTATNQMSA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

Itraconazole-d5 (major)（Cat No.:R003310） is a high-purity deuterated analog of the antifungal agent itraconazole, featuring five deuterium atoms. This isotopically labeled compound is essential for advanced pharmaceutical research, particularly in the study of itraconazole’s pharmacokinetics, metabolic pathways, and drug-drug interactions. The deuterium labeling ensures increased stability and provides more accurate and reliable analytical results. Ideal for use in mass spectrometry and other analytical techniques, Itraconazole-d5 (major) supports the development of new therapeutic strategies and enhances our understanding of itraconazole’s efficacy and safety profiles.