2-[(1S,2S)-1-Ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

Inquiry

For Research Use Only.

Category

Impurities

Cat.No.

NP3092

CAS

184177-83-1

Product Name

2-[(1S,2S)-1-Ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

Structure

Product Details

Description

Posaconazole Diastereoisomer Related Compound 6 is an impurity of Posaconazole. Posaconazole is a broad-spectrum triazole compound that is active against fungi by inhibiting the lanosterol 14α-demethylase enzyme.

Synonyms

Posaconazole Impurity 63; 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one

IUPAC Name

4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one

Molecular Weight

513.63

Molecular Formula

C30H35N5O3

Canonical SMILES

CCC(C(C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C30H35N5O3/c1-3-29(23(2)38-21-24-7-5-4-6-8-24)35-30(37)34(22-31-35)27-11-9-25(10-12-27)32-17-19-33(20-18-32)26-13-15-28(36)16-14-26/h4-16,22-23,29,36H,3,17-21H2,1-2H3/t23-,29-/m0/s1

InChIKey

QLRPRKJUMRQTOV-IADCTJSHSA-N

Boiling Point

685.351ºC at 760 mmHg

Melting Point

195-197°C

Purity

>95%

Density

1.22

Solubility

Soluble in Chloroform, Methanol

Appearance

White to Greyish white Solid

Application

Intermediate in the preparation of Posaconazole.

Storage

Store at -20°C

Form

Powder

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