Linagliptin

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Formula C25H30N8O2
IUPAC Name 8-[(3r)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
Molecular Mass 474.558 g·mol−1
Heat of Formation 228.2 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 561.5 Å 3
Surface Area 469.85 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • 8-[(3r)-3-amino-1-piperidinyl]-7-but-2-ynyl-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]purine-2,6-dione
  • 8-[(3r)-3-amino-1-piperidyl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
  • 8-[(3r)-3-amino-1-piperidyl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]xanthine
InChIKey LTXREWYXXSTFRX-QGZVFWFLSA-N
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