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

CAS: 1199350-00-9

Ref. TR-I937520

Product Information

• Name: Itraconazole Desethylene-seco-piperazine Mono-N-formyl Impurity
• Synonyms: rel-N-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-N-[2-[[4-[1,5-dihydro-1-(1-methylpropyl)-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]amino]ethyl]formamide
• Brand: TRC
• Description: Applications Itraconazole Desethylene-seco-piperazine Mono-N-formyl 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: 707.61
• Formula: C₃₄H₃₆Cl₂N₈O₅
• Color/Form: Neat
• InChI: InChI=1S/C34H36Cl2N8O5/c1-3-24(2)44-33(46)43(22-40-44)28-7-5-26(6-8-28)38-14-15-41(23-45)27-9-11-29(12-10-27)47-17-30-18-48-34(49-30,19-42-21-37-20-39-42)31-13-4-25(35)16-32(31)36/h4-13,16,20-24,30,38H,3,14-15,17-19H2,1-2H3/t24?,30-,34-/m0/s1
• InChI key: InChIKey=ITKQFPSEGMIUIF-XUOSIXAYSA-N
• SMILES: CCC(C)n1ncn(-c2ccc(NCCN(C=O)c3ccc(OC[C@H]4CO[C@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)cc2)c1=O