Itraconazole N,N-Dioxide

Ref. TR-I937525

Product Information

• Name: Itraconazole N,N-Dioxide
• Synonyms: 1-(4-(((2R,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(4-(1-(sec-butyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)phenyl)piperazine 1,4-Dioxide
• Brand: TRC
• Description: Stability HygroscopicApplications Itraconazole N,N-Dioxide is a derivative of Itraconazole (I937500). Itraconazole is an orally active antimycotic structurally related to Ketoconazole. Antifungal. It is a COVID19-related research product.References Espinel-Ingroff, A., et al.: Antimicrob. Agents Chemother., 26, 5 (1984), Heykants, J., et al.: Mycoses, 32, Suppl 1, 67 (1989), Sugar, A.M.,et al.: Curr. Clin. Top. Infect. Dis., 13, 74 (1993),

Chemical properties

• Molecular weight: 737.63
• Formula: C₃₅H₃₈Cl₂N₈O₆
• Color/Form: Neat
• InChI: InChI=1S/C35H38Cl2N8O6/c1-3-25(2)43-34(46)42(24-40-43)27-5-7-28(8-6-27)44(47)14-16-45(48,17-15-44)29-9-11-30(12-10-29)49-19-31-20-50-35(51-31,21-41-23-38-22-39-41)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-,44?,45?/m0/s1
• InChI key: InChIKey=WBOXWULGQATEAI-VUZDEEHJSA-N
• SMILES: CCC(C)n1ncn(-c2ccc([N+]3([O-])CC[N+]([O-])(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O