Analyte Name

N-Formyl Saxagliptin-13C3

Molecular Formula

13C3 C16 H25 N3 O3

Molecular Weight

346.398

Accurate Mass

346.2

SMILES

O[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)[13CH](NC=O)[13C](=O)N4[C@H](C[C@H]5[13CH2][C@@H]45)C#N

InChI

InChI=1S/C19H25N3O3/c20-8-14-2-13-3-15(13)22(14)17(24)16(21-10-23)18-4-11-1-12(5-18)7-19(25,6-11)9-18/h10-16,25H,1-7,9H2,(H,21,23)/t11-,12+,13-,14+,15+,16?,18+,19-/m0/s1/i3+1,16+1,17+1

IUPAC

N-[2-[(1R,3R,5R)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(5R,7S)-3-hydroxy-1-adamantyl]-2-oxo(1,2-13C2)ethyl]formamide

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat