Itraconazole Desethylene-seco-piperazine Di-N-formyl Impurity

CAS: 1199350-02-1

Ref. TR-I937565

Product Information

• Name: Itraconazole Desethylene-seco-piperazine Di-N-formyl Impurity
• Synonyms: rel-N-[2-[[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]formylamino]ethyl]-N-[4-[1,5-dihydro-1-(1-methylpropyl)-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]formamide
• Brand: TRC

Description

Applications Itraconazole Desethylene-seco-piperazine Di-N-formyl Impurity is a by-product in the synthesis of Itraconazole Desethylene-seco-piperazine Mono-N-formyl Impurity (I937520), which is an impurity 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: 735.62
• Formula: C₃₅H₃₆Cl₂N₈O₆
• Color/Form: Neat
• InChI: InChI=1S/C35H36Cl2N8O6/c1-3-25(2)45-34(48)44(22-40-45)29-7-5-27(6-8-29)41(23-46)14-15-42(24-47)28-9-11-30(12-10-28)49-17-31-18-50-35(51-31,19-43-21-38-20-39-43)32-13-4-26(36)16-33(32)37/h4-13,16,20-25,31H,3,14-15,17-19H2,1-2H3/t25?,31-,35-/m0/s1
• InChI key: InChIKey=GXMOFIXLLZJCFA-ZPGVKDDISA-N
• SMILES: CCC(C)n1ncn(-c2ccc(N(C=O)CCN(C=O)c3ccc(OC[C@H]4CO[C@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)cc2)c1=O