trans-Itraconazole

CAS : 252964-65-1

Ref. TR-I937505

Informations sur le produit

• Nom: trans-Itraconazole
• Synonymes: 4-[4-[4-[4-[[trans-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(1RS)-1-methylpropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-[4-[4-[4-[[(2R,4R)-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-2-(1-methylpropyl)-, rel-, Itraconazole Imp. E (EP), rel-4-[4-[4-[4-[[(2R,4R)-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-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one

Description

Impurity Itraconazole EP Impurity E
Applications trans-Itraconazole (Itraconazole EP Impurity E) is a geometrical isomer of Itraconazole (I937500). It is a COVID19-related research product.
References Ahn, C., et al.: J. Korean Chem. Soc., 43, 676 (1999),

• Marque: TRC

Propriétés chimiques

• Masse moléculaire: 705.63
• Formule: C₃₅H₃₈Cl₂N₈O₄
• Couleur/Forme: 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
• Code InChI: 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