Itraconazole-d5 (major)

CAS: 1217510-38-7

Ref. TR-I937502

Produktinformation

• Name: Itraconazole-d5 (major)
• Synonyme: Itraconazole-d5, Itraconazole-D5 (2-butyl-3,3,4,4,4-D5), 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-2,2,3,3,3-d5)-3H-1,2,4-triazol-3-one, 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-2,2,3,3,3-d5]-2,4-dihydro-3H-1,2,4-triazol-3-one
• Marke: TRC

Beschreibung

Applications An isotopically labelled, orally active antimycotic structurally related to Ketoconazole.A representative lot was 88% d5, 12% d4 with no d0. 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),

Chemische Eigenschaften

• Molekulargewicht: 710.66
• Formel: C₃₅₂H₅H₃₃Cl₂N₈O₄
• Farbe/Form: Neat
• InChl: 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-/m0/s1/i1D3,3D2
• InChI Key: InChIKey=VHVPQPYKVGDNFY-VXTATNQMSA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O