Ocaperidone

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Properties Simple | Detailed

Formula C24H25FN4O2
IUPAC Name 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-2,9-dimethyl-7,8-dihydro-6h-pyrido[1,2-a]pyrimidine-6,7,8,9-tetraid-4-one
Molecular Mass 420.479 g·mol−1
Heat of Formation -104.0 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 490.64 Å 3
Surface Area 429.23 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino)ethyl)-2,9-dimethyl-4h-pyrido(1,2-a)pyrimidin-4-one
  • 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl]-2,9-dimethyl-4-pyrido[2,1-b]pyrimidinone
  • 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-2,9-dimethyl-pyrido[2,1-b]pyrimidin-4-one
  • 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethyl-pyrido[2,1-b]pyrimidin-4-one
  • 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethylpyrido[2,1-b]pyrimidin-4-one
  • 3-[2-[4-(6-fluoroindoxazen-3-yl)-1-piperidyl]ethyl]-2,9-dimethyl-pyrido[2,1-b]pyrimidin-4-one
  • 4h-pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-2,9-dimethyl-
  • d02675
  • ocaperidone (usan)
  • pdsp1_000799
  • pdsp2_000787
  • r 79598
CAS Number(s)
  • 129029-23-8
InChIKey ZZQNEJILGNNOEP-UHFFFAOYSA-N
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