Etoricoxib

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Properties Simple | Detailed

Formula C18H17ClN2O2S
IUPAC Name 5-chloro-2-(6-methylpyridin-1-ium-3-id-3-yl)-3-(4-methylsulfonylphenyl)pyridin-1-ium-5-ide
Molecular Mass 360.858 g·mol−1
Heat of Formation -55.2 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 407.13 Å 3
Surface Area 336.47 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3'-bipyridine, 5-chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-
  • 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine
  • 5-chloro-3-(4-mesylphenyl)-2-(6-methyl-3-pyridyl)pyridine
  • 5-chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine
  • arcoxia
  • d03710
  • etoricoxib (usan)
  • l-791456
  • l791456
  • mk 0663
  • mk 663
  • mk-0663
  • mk-663
  • nucoxia
  • tauxib
CAS Number(s)
  • 202409-33-4
InChIKey MNJVRJDLRVPLFE-UHFFFAOYSA-N
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