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173967-54-9

Product Name: Voriconazole Vfend
Formula: C16H14F3N5O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 134 °C
Solubility Low
LogP 1

COMPUTED DESCRIPTORS

Molecular Weight 349.31 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 349.11504457 g/mol
Monoisotopic Mass 349.11504457 g/mol
Topological Polar Surface Area 76.7 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 448
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Voriconazole is a triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4. It has a role as a P450 inhibitor. It is a member of pyrimidines, a difluorobenzene, a tertiary alcohol, a triazole antifungal drug and a conazole antifungal drug.