Posaconazole

CAS Number: 171228-49-2

Molecular Formula: C37H42F2N8O4

About Posaconazole

Posaconazole CAS 171228-49-2 is a high-performance triazole antifungal agent essential for prophylaxis against invasive fungal infections in immunocompromised patients, where it commands a leading position in the API intermediates market due to its superior efficacy compared to first-generation azoles. Noxafil, as the ...

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.