Linagliptin N-D-Glucuronide

Product Specifications

Hazard Statement

No Data Available

Smiles

CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N5CCC[C@@H](C5)N[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O

Molecular Formula

C31 H38 N8 O7

Molecular Weight

634.683

InChI

InChI=1S/C31H38N8O7/c1-4-5-13-38-23-27(36(3)31(45)39(29(23)44)15-22-32-17(2)19-10-6-7-11-20(19)34-22)35-30(38)37-12-8-9-18(14-37)33-28-26(43)25(42)24(41)21(16-40)46-28/h6-7,10-11,18,21,24-26,28,33,40-43H,8-9,12-16H2,1-3H3/t18-,21-,24-,25+,26-,28-/m0/s1

Additionnal Information

IUPAC name: 7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-8-[(3S)-3-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]piperidin-1-yl]purine-2,6-dione