(2R,4S)-Itraconazole-d5 (Mixture of Diastereomers)

For research use only. Not for therapeutic Use.

  • CAT Number: R032463
  • CAS Number: NA
  • Molecular Formula: C₃₅H₃₃D₅Cl₂N₈O₄
  • Molecular Weight: 710.66
  • Purity: ≥95%
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(2R,4S)-Itraconazole-d5 (Mixture of Diastereomers)(Cat No.:R032463) is a high-purity deuterated compound featuring five deuterium atoms, essential for advanced pharmaceutical and biomedical research. This isotopically labeled version of itraconazole is crucial for studies involving antifungal drug metabolism, pharmacokinetics, and pharmacodynamics. Its stable isotope labeling ensures precise and reliable analytical results, enhancing the accuracy of experimental data. Ideal for use in bioavailability studies, drug interaction investigations, and analytical method development, (2R,4S)-Itraconazole-d5 integrates seamlessly into existing research protocols, offering a robust and cost-effective solution for high-precision scientific investigations in antifungal therapy and therapeutic monitoring.


Catalog Number R032463
CAS Number NA
Synonyms

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-d5;

Molecular Formula C₃₅H₃₃D₅Cl₂N₈O₄
Purity ≥95%
Storage -20°C
IUPAC Name 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one
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/i1D3,3D2
InChIKey VHVPQPYKVGDNFY-VXTATNQMSA-N
SMILES [2H]C([2H])([2H])C([2H])([2H])C(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

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