N-Desalkyl Itraconazole

CAS: 89848-41-9

Ref. TR-D288345

Product Information

• Name: N-Desalkyl Itraconazole
• Synonyms: 3H-1,2,4-Triazol-3-one, 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-, rel-, 3H-1,2,4-Triazol-3-one, 4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-, cis-, rel-4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-[4-[4-[4-[[cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
• Brand: TRC
• Description: Applications N-Desalkyl Itraconazole is a derivative of itraconazole (I937500), 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: 649.53
• Formula: C₃₁H₃₀Cl₂N₈O₄
• Color/Form: Neat
• InChI: InChI=1S/C31H30Cl2N8O4/c32-22-1-10-28(29(33)15-22)31(18-40-20-34-19-36-40)44-17-27(45-31)16-43-26-8-6-24(7-9-26)39-13-11-38(12-14-39)23-2-4-25(5-3-23)41-21-35-37-30(41)42/h1-10,15,19-21,27H,11-14,16-18H2,(H,37,42)/t27-,31-/m0/s1
• InChI key: InChIKey=FBAPZOQKYAPBHI-DLFZDVPBSA-N
• SMILES: O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1