4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one

Analyte Name

Prositagliptin ketone

CAS Number

764667-65-4

Molecular Formula

C16 H12 F6 N4 O2

Molecular Weight

406.28

Accurate Mass

406.0864

SMILES

Fc1cc(F)c(CC(=O)CC(=O)N2CCn3c(C2)nnc3C(F)(F)F)cc1F

InChI

InChI=1S/C16H12F6N4O2/c17-10-6-12(19)11(18)4-8(10)3-9(27)5-14(28)25-1-2-26-13(7-25)23-24-15(26)16(20,21)22/h4,6H,1-3,5,7H2

IUPAC

1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butane-1,3-dione

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Impurity Type

Intermediate

API Family

Sitagliptin

Purity

>95% (HPLC)