Sitagliptin Carbamoyl beta-D-Glucuronide Methyl Ester

Analyte Name

Sitagliptin Carbamoyl beta-D-Glucuronide Methyl Ester

Molecular Formula

C24 H25 F6 N5 O9

Molecular Weight

641.474

Accurate Mass

641.156

SMILES

COC(=O)[C@H]1O[C@@H](OC(=O)N[C@@H](CC(=O)N2CCn3c(C2)nnc3C(F)(F)F)Cc4cc(F)c(F)cc4F)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C24H25F6N5O9/c1-42-20(40)19-17(38)16(37)18(39)21(43-19)44-23(41)31-10(4-9-5-12(26)13(27)7-11(9)25)6-15(36)34-2-3-35-14(8-34)32-33-22(35)24(28,29)30/h5,7,10,16-19,21,37-39H,2-4,6,8H2,1H3,(H,31,41)/t10-,16+,17+,18-,19+,21+/m1/s1

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamoyloxy]oxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat