7-(3-(4-(4-Fluorobenzoyl)-1-Piperidinyl)Propyl)-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C22H26FN5O3
IUPAC Name 7-[3-[4-(4-fluorobenzoyl)-1-piperidyl]propyl]-1,3-dimethyl-purine-2,6-dione
Molecular Mass 427.472 g·mol−1
Heat of Formation -472.3 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 507.46 Å 3
Surface Area 432.19 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 7-(3-(4-(4-fluorobenzoyl)-1-piperidinyl)propyl)-3,7-dihydro-1,3-dimethyl-
  • 7-(3-(4-(p-fluorobenzoyl)piperidino)propyl)theophylline
  • 7-[3-[4-(4-fluorobenzoyl)-1-piperidyl]propyl]-1,3-dimethyl-purine-2,6-dione
  • 7-[3-[4-(4-fluorobenzoyl)-1-piperidyl]propyl]-1,3-dimethyl-xanthine
  • 7-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
  • 7-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione
  • 7-[3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]propyl]-1,3-dimethylpurine-2,6-dione
  • fluprofilina [spanish]
  • fluprofylline
  • fluprofyllinum [latin]
  • fluprophylline
  • pdsp1_000839
  • pdsp2_000826
  • sgd 144 80
  • sgd-14480
  • theophylline, 7-(3-(4-(p-fluorobenzoyl)piperidino)propyl)-
CAS Number(s)
  • 85118-43-0
InChIKey IPSYNNODBHPDFB-UHFFFAOYSA-N
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