565453-40-9

Name Vildagliptin Carboxylic Acid
CAS 565453-40-9
Molecular Formula C17H26N2O4
MDL Number MFCD22372063
Molecular Weight 322.4
MOL File 565453-40-9.mol

Chemical Properties

Boiling point  556.4±50.0 °C(Predicted)
density  1.34±0.1 g/cm3(Predicted)
solubility  DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form  Solid
pka 3.18±0.20(Predicted)
color  White to Light Yellow
InChI InChI=1S/C17H26N2O4/c20-14(19-3-1-2-13(19)15(21)22)9-18-16-5-11-4-12(6-16)8-17(23,7-11)10-16/h11-13,18,23H,1-10H2,(H,21,22)/t11?,12?,13-,16?,17?/m0/s1
InChIKey KWZNLUFQUDQQJU-FBXIQOIYSA-N
SMILES C(O)(=O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2

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