Istradefylline

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Properties Simple | Detailed

Formula C20H25N4O4
IUPAC Name 8-[(e)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-diethyl-7-methyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 385.437 g·mol−1
Heat of Formation -414.6 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 454.6 Å 3
Surface Area 409.83 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methylxanthine
  • 1h-purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,4-dimethoxyphenyl)ethenyl)-7-methyl-, (e)-
  • 8-[(e)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione
  • 8-[(e)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
  • 8-[(e)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione
  • 8-[(e)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-diethyl-7-methyl-xanthine
  • 8-[(e)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-diethyl-7-methylpurine-2,6-dione
  • d04641
  • istradefylline (usan)
  • kw 6002
  • kw-6002
CAS Number(s)
  • 155270-99-8
InChIKey IQVRBWUUXZMOPW-PKNBQFBNSA-N
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