Doxofylline

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Properties Simple | Detailed

Formula C11H18N4O4
IUPAC Name 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-8h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 270.285 g·mol−1
Heat of Formation -510.3 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 294.62 Å 3
Surface Area 268.81 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 3,7-dihydro-7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl- (9ci)
  • 1h-purine-2,6-dione, 7-(1,3-dioxolan-2-ylmethyl)-3,7-dihydro-1,3-dimethyl-
  • 2-(7'-theophyllinemethyl)-1,3-dioxolane
  • 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
  • 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione
  • 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-xanthine
  • 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
  • 7-(1,3-dioxolan-2-ylmethyl)theophylline
  • 7-(1,3-dioxolon-2-ylmethyl)-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-purindion
  • abc 12/3
  • abc-12/3
  • abc-1213
  • ansimar
  • bb_sc-2105
  • d03898
  • dioxyfilline
  • do-309
  • doxofylline (usan)
  • doxophylline
  • maxivent
  • theophylline, 7-(1,3-dioxolan-2-ylmethyl)-
  • ventax
CAS Number(s)
  • 69975-86-6
InChIKey HWXIGFIVGWUZAO-UHFFFAOYSA-N
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