Voriconazole N-Oxide

Base Information

• Chemical Name: Voriconazole N-Oxide
• CAS No.: 618109-05-0
• Molecular Formula: C16H14F3N5O2
• Molecular Weight: 365.314
• UNII: 684933R4SK
• DSSTox Substance ID: DTXSID90434719
• Nikkaji Number: J2.906.940I
• Wikidata: Q27264211
• Mol file: 618109-05-0.mol

Synonyms:UK 121,265;UK 121265;UK-121,265;UK-121265;UK121,265;UK121265

Chemical Property of Voriconazole N-Oxide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 75-77°C
• Boiling Point: 569.513°C at 760 mmHg
• PKA: 11.22±0.29(Predicted)
• Flash Point: 298.231°C
• PSA: 89.29000
• Density: 1.473g/cm³
• LogP: 2.21040
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 365.10995919
• Heavy Atom Count: 26
• Complexity: 479

Purity/Quality:

97% ^*data from raw suppliers

Voriconazole N-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=NC=[N+](C=C1F)[O-])C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
• Isomeric SMILES: C[C@@H](C1=NC=[N+](C=C1F)[O-])[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
• Uses: A metabolite of Voriconazole (V760000).