Itraconazole-d9

CAS: 84625-61-6

Ref. TR-I937504

Product Information

• Name: Itraconazole-d9
• Synonyms: (+/-)-4-[4-[4-[4-[[(2R,4S)-(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-d9)-3H-1,2,4-triazol-3-one, Itrizole-d9, Oriconazole-d9, R-51211-d9, Sporamelt-d9, Sporanox-d9, Triasporin-d9, 2-Butan-2-Yl-4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1,2,4-Triazol-1-Yl Methyl)-1,3-Dioxolan-4-Yl]Methoxy]Phenyl]Piperazin-1-Yl]Phenyl]-1,2,4-Triazol-3-One, 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-2-(1-methylpropyl)-, 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-2-(1-methylpropyl)-, Candistat, Canditral, Cladosal 100, Fungitraxx, Itrac, Itraconozole, Itralek, Itrizole, Oriconazole, Orungal, Orungamin, Pur 1900, R 51211, SUBA Itraconazole, Sempera, Spherazole CR, Spherazole IR, Sporal, Sporamelt, Sporanox, Sporanox IV, Sporonox, Traconal, Triasporin, cis-Itraconazole, 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-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one

Description

Applications Itraconazole-d9, is the labeled analogue 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),

• Brand: TRC

Chemical properties

• Molecular weight: 714.69
• Formula: C₃₅H₂₉D₉Cl₂N₈O₄
• Color/Form: Off-White To Beige
• 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-/m0/s1/i1D3,2D3,3D2,25D
• InChI key: InChIKey=VHVPQPYKVGDNFY-FALIESLJSA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])(n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O)C([2H])([2H])[2H]