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Product Overview

Product Code

TRC-B693320

CAS Number

252964-68-4

EP Description

Itraconazole EP Impurity A

Product Format

Neat

Molecular Formula

C23 H29 N5 O2

Molecular Weight

407.51

API Family

Itraconazole

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

4-[4-[4-(4-Methoxyphenyl)piperazin-1-yl]phenyl]-2-[(1RS)-1-methylpropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS Number

252964-68-4

Molecular Formula

C23 H29 N5 O2

Molecular Weight

407.51

Accurate Mass

407.2321

SMILES

CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC)cc4

InChI

InChI=1S/C23H29N5O2/c1-4-18(2)28-23(29)27(17-24-28)21-7-5-19(6-8-21)25-13-15-26(16-14-25)20-9-11-22(30-3)12-10-20/h5-12,17-18H,4,13-16H2,1-3H3

IUPAC

2-butan-2-yl-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Itraconazole

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Product Overview

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Chemical Data

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Product citations

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2-(2-Butyl)-4-{4-[4-(4-methyloxy-phenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4]-triazol-3-one

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