{[7-(4-Morpholinyl)-2,3-Dioxo-6-(Trifluoromethyl)-3,4-Dihydro-1(2H)-Quinoxalinyl]Methyl}Phosphonic Acid

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Formula C14H15F3N3O6P
IUPAC Name [7-morpholino-2,3-dioxo-6-(trifluoromethyl)quinoxaline-1,4-diium-1-yl]methylphosphonic acid
Molecular Mass 409.254 g·mol−1
Heat of Formation -1783.5 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 412.09 Å 3
Surface Area 340.31 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • ((3,4-dihydro-7-morpholino-2,3-dioxo-6-(trifluoromethyl)-1-(2h)-quinoxalinyl)methyl)phosphonic acid.
  • [2,3-diketo-7-morpholino-6-(trifluoromethyl)-4h-quinoxalin-1-yl]methylphosphonic acid
  • [7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4h-quinoxalin-1-yl]methylphosphonic acid
  • [7-morpholino-2,3-dioxo-6-(trifluoromethyl)-4h-quinoxalin-1-yl]methylphosphonic acid
  • fanapanel
CAS Number(s)
  • 161605-73-8
InChIKey WZMQMKNCWDCCMT-UHFFFAOYSA-N
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Elements C F H O N P