rel-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-(prop-1-en-2-yl)-1H-1,2,4-triazol-5(4H)-one

CAS: 2818909-56-5

Ref. TR-T767490

Product Information

• Name: rel-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-(prop-1-en-2-yl)-1H-1,2,4-triazol-5(4H)-one
• Synonyms: rel-N-Desalkyl N-Isopropenyl Itraconazole

Description

Applications 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-(prop-1-en-2-yl)-1H-1,2,4-triazol-5(4H)-one is an impurity of Itraconazole (I937500); an orally active antimycotic structurally related to Ketoconazole (K186000). Also antifungal.
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)

• Brand: TRC

Chemical properties

• Molecular weight: 689.59
• Formula: C₃₄H₃₄Cl₂N₈O₄
• Color/Form: Neat
• InChI: InChI=1S/C34H34Cl2N8O4/c1-24(2)44-33(45)43(23-39-44)28-6-4-26(5-7-28)40-13-15-41(16-14-40)27-8-10-29(11-9-27)46-18-30-19-47-34(48-30,20-42-22-37-21-38-42)31-12-3-25(35)17-32(31)36/h3-12,17,21-23,30H,1,13-16,18-20H2,2H3/t30-,34-/m0/s1
• InChI key: InChIKey=JNFTUPLUOCWPMZ-NHZFLZHXSA-N
• SMILES: C=C(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O