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Product Overview

Product Code

TRC-I937565

CAS Number

1199350-02-1

Product Format

Neat

Molecular Formula

C35 H36 Cl2 N8 O6

Molecular Weight

735.62

API Family

Itraconazole

Product Categories

TRC, Impurity Reference Materials , Antimycotics, Forensic and Toxicology Reference Materials, API Reference Standards & Research Materials, Other antifungals, Antifungals, Pharmaceutical Toxicology Reference Materials

Product Type

API

Drug Type

Antifungals

Documentation

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Product Information

Chemical Data

Analyte Name

Itraconazole Desethylene-seco-Piperazine di-N-Formyl

CAS Number

1199350-02-1

Molecular Formula

C35 H36 Cl2 N8 O6

Molecular Weight

735.62

Accurate Mass

734.2135

SMILES

CCC(C)N1N=CN(C1=O)c2ccc(cc2)N(CCN(C=O)c3ccc(OC[C@H]4CO[C@@](Cn5cncn5)(O4)c6ccc(Cl)cc6Cl)cc3)C=O

InChI

InChI=1S/C35H36Cl2N8O6/c1-3-25(2)45-34(48)44(22-40-45)29-7-5-27(6-8-29)41(23-46)14-15-42(24-47)28-9-11-30(12-10-28)49-17-31-18-50-35(51-31,19-43-21-38-20-39-43)32-13-4-26(36)16-33(32)37/h4-13,16,20-25,31H,3,14-15,17-19H2,1-2H3/t25?,31-,35-/m0/s1

IUPAC

N-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]-N-[2-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-N-formylanilino]ethyl]formamide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Itraconazole

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Chemical Data

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Itraconazole Desethylene-seco-piperazine Di-N-formyl Impurity

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