Apixaban

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Properties Simple | Detailed

Formula C25H23N5O4
IUPAC Name 3-isocyanato-6-[4-(2-oxo-1-piperidyl)phenyl]-1-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-1-ium-3-ylium-7-one; methanone
Molecular Mass 457.481 g·mol−1
Heat of Formation 398.5 ± 16.7 kJ·mol−1
Dipole Moment 8.49 ± 1.08 D
Volume 527.42 Å 3
Surface Area 475.69 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • apixaban (usan/inn)
  • d03213
  • gg2
CAS Number(s)
  • 503612-47-3
InChIKey QNZCBYKSOIHPEH-UHFFFAOYSA-N
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