(1,2,4-Triazol-4-yl) Itraconazole

CAS: 854372-77-3

Ref. TR-T767525

Product Information

• Name: (1,2,4-Triazol-4-yl) Itraconazole
• Synonyms: rel-4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one, Itraconazole Imp. B (EP)
• Brand: TRC
• Description: Impurity Itraconazole EP Impurity BApplications (1,2,4-Triazol-4-yl) Itraconazole (Itraconazole EP Impurity B) is an isomer of Itraconazole. It is a COVID19-related research product.

Chemical properties

• Molecular weight: 705.63
• Formula: C₃₅H₃₈Cl₂N₈O₄
• Color/Form: Off White Solid
• InChI: InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)42-14-16-43(17-15-42)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-41-22-38-39-23-41)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
• InChI key: InChIKey=VRJGLVXBWFZNCZ-ZPGVKDDISA-N
• SMILES: CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cnnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O