Leteprinim

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Properties Simple | Detailed

Formula C15H20N5O4+
IUPAC Name 4-[3-(6-oxo-3,8-dihydro-2h-purine-1,2,4,5,7,8-hexaid-9-yl)propanoylamino]benzoic acid
Molecular Mass 334.350 g·mol−1
Heat of Formation -347.9 ± 16.7 kJ·mol−1
Dipole Moment 9.77 ± 1.08 D
Volume 366.14 Å 3
Surface Area 304.77 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((3-(1,6-dihydro-6-oxo-9h-purin-9-yl)-1-oxopropyl)amino)benzoic acid
  • 4-[3-(6-keto-3h-purin-9-yl)propanoylamino]benzoic acid
  • 4-[3-(6-oxo-3h-purin-9-yl)propanoylamino]benzoic acid
  • 4-[[1-oxo-3-(6-oxo-3h-purin-9-yl)propyl]amino]benzoic acid
  • ait 082 acid
  • benzoic acid, 4-((3-(1,6-dihydro-6-oxo-9h-purin-9-yl)-1-oxopropyl)amino)-
  • n-(4-carboxyphenyl)-3-(6-oxohydropurin-9-yl)propanamide
CAS Number(s)
  • 138117-50-7
InChIKey JMPOIZCOJJMTHI-UHFFFAOYSA-N
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