Carmegliptin

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Formula C20H28FN3O3
IUPAC Name (4s)-1-[(2s,3s,5r,11bs)-2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-benzo[a]quinolizin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one
Molecular Mass 377.453 g·mol−1
Heat of Formation -578.6 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 452.82 Å 3
Surface Area 383.3 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-1-[(2s,3s,11bs)-2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-pyrido[6,1-a]isoquinolin-3-yl]-4-(fluoromethyl)-2-pyrrolidinone
  • (4s)-1-[(2s,3s,11bs)-2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-pyrido[6,1-a]isoquinolin-3-yl]-4-(fluoromethyl)-2-pyrrolidone
  • (4s)-1-[(2s,3s,11bs)-2-amino-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-pyrido[6,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one
InChIKey GUYMHFIHHOEFOA-ZCPGHIKRSA-N
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