Deoxo Anhydro Itraconazole Bromide

Ref. TR-D231675

Product Information

• Name: Deoxo Anhydro Itraconazole Bromide
• Synonyms: 4-(4-(4-(4-(((2R,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-(sec-butyl)-1H-1,2,4-triazol-4-ium
• Brand: TRC
• Description: Applications Deoxo Anhydro Itraconazole Bromide is an impurity of Itraconazole (I937500), which is orally active antimycotic drug structurally related to Ketoconazole (K186000). 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: 770.55
• Formula: C₃₅H₃₉BrCl₂N₈O₃
• Color/Form: Neat
• InChI: InChI=1S/C35H39Cl2N8O3.BrH/c1-3-26(2)45-25-43(24-40-45)30-7-5-28(6-8-30)41-14-16-42(17-15-41)29-9-11-31(12-10-29)46-19-32-20-47-35(48-32,21-44-23-38-22-39-44)33-13-4-27(36)18-34(33)37;/h4-13,18,22-26,32H,3,14-17,19-21H2,1-2H3;1H/q+1;/t26?,32-,35-;/m0./s1
• SMILES: CCC(C)n1c[n+](-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)cn1.[Br]