8-{2-[4-(Diphenylmethyl)-1-Piperazinyl]Ethyl}-3-Isobutyl-1-Methyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C29H33N6O2
IUPAC Name 3-but-3-ynyl-8-[2-[4-[(s)-di(phenyl)methyl]piperazin-1-yl]ethyl]-1-methyl-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 497.611 g·mol−1
Heat of Formation 2004.9 ± 16.7 kJ·mol−1
Dipole Moment 24.83 ± 1.08 D
Volume 606.32 Å 3
Surface Area 501.54 Å 2
HOMO Energy -4.57 ± 0.55 eV
LUMO Energy -3.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-3-isobutyl-8-(2-(4-benzhydrylpiperazino)ethyl)xanthine
  • 1-methyl-3-isobutyl-8-(2-ethyl(1-(4-diphenylmethylpiperazinyl)))-3,7-dihydro-(1h)-purine 2,6-dione
  • 1h-purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)-1-methyl-3-(2-methylpropyl)-
  • 1h-purine-2,6-dione, 8-(4-(diphenylmethyl)-2-ethyl-1-piperazinyl)-3,7-dihydro-1-methyl-3-(2-methylpropyl)-
  • 8-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)-3-isobutyl-1-methylxanthine
  • 8-[2-[4-[di(phenyl)methyl]-1-piperazinyl]ethyl]-3-isobutyl-1-methyl-7h-purine-2,6-dione
  • 8-[2-[4-[di(phenyl)methyl]piperazin-1-yl]ethyl]-1-methyl-3-(2-methylpropyl)-7h-purine-2,6-dione
  • 8-[2-[4-[di(phenyl)methyl]piperazin-1-yl]ethyl]-3-isobutyl-1-methyl-7h-purine-2,6-dione
  • 8-[2-[4-[di(phenyl)methyl]piperazin-1-yl]ethyl]-3-isobutyl-1-methyl-7h-purine-2,6-quinone
  • laprafylline
  • s 10257
  • s 9795
  • s-9795
CAS Number(s)
  • 112666-96-3
  • 90749-32-9
InChIKey OEHQNUNEMMXGRU-UHFFFAOYSA-N
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