Linagliptin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 233
Total Number of Articles : 427
PubChem 10096344
Molecular Formula

C25H28N8O2

SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C

InChI

InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1

synonyms
  • Linagliptin
  • 668270-12-0
  • Tradjenta
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Properties
Property Value
MW 472.5 g/mol
HBD 1
HBA 7
Rotatable Bond Count 4
Exact Mass 472.23352217 g/mol
Monoisotopic Mass 472.23352217 g/mol
Heavy Atom Count 35
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 885
xlogp 1.9
Topological Polar Surface Area 114