Name: Itraconazole-d5 (major)
Brand: TRC
SKU: TRC-I937502

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Product Overview

Product Code

TRC-I937502

CAS Number

1217510-38-7

Product Format

Neat

Molecular Formula

C35 2H5 H33 Cl2 N8 O4

Molecular Weight

710.66

API Family

Itraconazole

Product Categories

TRC, Pharmaceutical Reference Standards, Chiral Molecules , Antimycotics, API Reference Standards & Research Materials, Stable isotopes, Drug derivatives & metabolites, Azoles, Antifungals, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials , Infectious Disease Research Chemicals and Analytical Standards

Product Type

Impurity, Stable Isotope Labelled, API

Unlabelled CAS Number

84625-61-6

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Itraconazole 2-butyl-3,3,4,4,4-d5

CAS Number

1217510-38-7

Molecular Formula

C35 2H5 H33 Cl2 N8 O4

Molecular Weight

710.66

Accurate Mass

709.2707

SMILES

[2H]C([2H])([2H])C([2H])([2H])C(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4

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

IUPAC

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

Unlabelled CAS Number

84625-61-6

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled; API

Product Format

Neat

API Family

Itraconazole

Purity

>95% (HPLC)

Product Description

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),

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