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Application Area
Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Itraconazole-[d5]

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General Information
Catalog: BLP-006105
CAS: 1217510-38-7
Molecular Formula: C35H33D5Cl2N8O4
Molecular Weight: 710.66
Chemical Structure
Itraconazole-[d5]
Description Itraconazole-[d5] is the labelled analogue of Itraconazole. Itraconazole is an orally active antimycotic structurally related to Ketoconazole. Antifungal. It is a COVID-19-related research product.
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-d5)-3H-1,2,4-triazol-3-one; Itrizole-d5; Oriconazole-d5; R-51211-d5; Sporamelt-d5; Sporanox-d5; Triasporin-d5
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-(2,3,3,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one
Related CAS 84625-61-6 (unlabelled)
Canonical SMILES CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
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/i1D2,3D2,25D
InChI Key VHVPQPYKVGDNFY-GAMAEHROSA-N
Melting Point 160-162°C
Purity 98% by CP; 98% atom D
Solubility Slightly soluble in Chloroform, Methanol
Appearance White to Beige Solid
Storage Store at-20°C
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