Nombre del analito

Sitagliptin fumarate adduct

Fórmula molecular

C20 H19 F6 N5 O5

Peso molecular

523.38

Masa exacta

523.129

SMILES

OC(=O)CC(N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F)C(=O)O

InChI

InChI=1S/C20H19F6N5O5/c21-11-6-13(23)12(22)4-9(11)3-10(27-14(18(35)36)7-17(33)34)5-16(32)30-1-2-31-15(8-30)28-29-19(31)20(24,25)26/h4,6,10,14,27H,1-3,5,7-8H2,(H,33,34)(H,35,36)/t10-,14?/m1/s1

País de origen

CANADA

Código arancelario

29339980