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Product Overview

Product Code

TRC-H943600

CAS Number

112559-91-8

Product Format

Neat

Molecular Formula

C35 H40 Cl2 N8 O4

Molecular Weight

707.65

API Family

Itraconazole

Product Categories

TRC, Fungicides and metabolites, Infectious Disease Research Chemicals and Analytical Standards, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Metabolite, API

Purity

>95% (HPLC)

Drug Type

Antifungals

Documentation

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Product Information

Chemical Data

Analyte Name

Hydroxy Itraconazole

CAS Number

112559-91-8

Molecular Formula

C35 H40 Cl2 N8 O4

Molecular Weight

707.65

Accurate Mass

706.255

Flash Point

-20

SMILES

CCC(C)N1N=CN(C1O)c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4

InChI

InChI=1S/C35H40Cl2N8O4/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/h4-13,18,22-25,31,34,46H,3,14-17,19-21H2,1-2H3

IUPAC

2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3H-1,2,4-triazol-3-ol

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Itraconazole

Purity

>95% (HPLC)

Product Description

A metabolite of Itraconazole, an orally active antimycotic structurally related to Ketoconazole. It is a COVID19-related research product.

References: Saag, M., et al.: Antimicrob. Agents Chemother., 32, 1 (1988),

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Hydroxy Itraconazole

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