(2R,4R)-Itraconazole (Mixture of Diastereomers)

CAS: 848585-68-2, 848585-69-3

Ref. TR-I937550

Product Information

• Name: (2R,4R)-Itraconazole (Mixture of Diastereomers)
• Synonyms: 4-(4-(4-(4-(((2R,4R)-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-5(4H)-one
• Brand: TRC

Description

Applications (2R,4R)-Itraconazole (Mixture of Diastereomers) is an enantiomer 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: 705.63
• Formula: C₃₅H₃₈Cl₂N₈O₄
• Color/Form: Neat
• InChI: InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)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+/m1/s1
• InChI key: InChIKey=VHVPQPYKVGDNFY-KKHGCVKGSA-N
• SMILES: CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O