Posaconazole

CAS Number: 171228-49-2

Molecular Formula: C37H42F2N8O4

About Posaconazole

Posaconazole (CAS 171228-49-2), a potent second-generation triazole antifungal, remains a cornerstone in the prophylactic treatment of invasive fungal infections like aspergillosis and candidiasis, particularly within the US oncology and transplant sectors where high purity fine chemicals are mandated for immunocomprom...

Posaconazole Specifications

CAS Number

171228-49-2

Molecular Formula

C37H42F2N8O4

Molecular Weight

700.78 g/mol

IUPAC Name

4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furanyl]methoxy]phenyl]-1-piperazinyl]phenyl]-2-[(1S,2S)-1-ethyl-2-hydroxypropyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

Canonical SMILES

CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

InChI Key

RAGOYPUPXAKGKH-XAKZXMRKSA-N

PubChem CID

468595

CAS Number

171228-49-2

Molecular Formula

C37H42F2N8O4

Molecular Weight

700.78 g/mol

IUPAC Name

Canonical SMILES

CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

InChI Key

RAGOYPUPXAKGKH-XAKZXMRKSA-N

PubChem CID

468595

Molecular Weight

700.78 g/mol

Physical appearance

White to beige powder to crystal

Antifungal Agent

A highly potent, broad-spectrum triazole antifungal used for the prophylaxis and treatment of serious invasive fungal infections, such as aspergillosis and candidiasis, particularly in severely immunocompromised patients

Enzyme Inhibitor

A specific inhibitor of lanosterol 14α-demethylase (CYP51) used in biochemical research to study fungal cell membrane permeability and ergosterol biosynthesis

Antiparasitic Research Tool

A bioactive small molecule employed in studies investigating treatments for Chagas disease due to its antichagasic effects against Trypanosoma cruzi

Analytical Reference Standard

A high-purity compound used as a reference material in HPLC analysis for the quantification of posaconazole in human plasma and other biological matrices.