saxagliptin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 131
Total Number of Articles : 252
PubChem 134694638
Molecular Formula

C18H25N3O2

SMILES

C1[C@H]2C[C@H]2N([C@@H]1C#N)C(=O)C(C34C[C@@H]5CC(C3)CC(C5)(C4)O)N

InChI

InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10-,11?,12-,13-,14+,15?,17?,18?/m0/s1

synonyms
  • Saxagliptin
  • 361442-04-8
  • BCP01886
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Properties
Property Value
MW 315.4 g/mol
HBD 2
HBA 4
Rotatable Bond Count 2
Exact Mass 315.19467705 g/mol
Monoisotopic Mass 315.19467705 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 609
xlogp 0.7
Topological Polar Surface Area 90.4