Voriconazole

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Properties Simple | Detailed

Formula C16H14F3N5O
IUPAC Name (2r,3s)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Molecular Mass 349.310 g·mol−1
Heat of Formation -314.7 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 382.19 Å 3
Surface Area 315.46 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
  • (r-(r*,s*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1h-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
  • 4-pyrimidineethanol, alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1h-1,2,4-triazol-1-ylmethyl)-, (r-(r*,s*))-
  • d00578
  • drg-0301
  • uk-109,496
  • uk-109496
  • vcz
  • vfend
  • voriconazole (jan/usan/inn)
  • vrc
CAS Number(s)
  • 137234-62-9
InChIKey BCEHBSKCWLPMDN-MGPLVRAMSA-N
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