Analyte Name

3-Deshydroxy 3-Keto Saxagliptin

CAS Number

2173146-34-2

Molecular Formula

C18H23N3O2

Molecular Weight

313.4

Accurate Mass

313.18

SMILES

O=C(N1[C@]2([H])[C@@](C[C@H]1C#N)([H])C2)[C@H](C34CC5C(C(CC(C5)C4)C3)=O)N

InChI

InChI=1S/C18H23N3O2/c19-8-13-3-10-4-14(10)21(13)17(23)16(20)18-5-9-1-11(6-18)15(22)12(2-9)7-18/h9-14,16H,1-7,20H2/t9?,10-,11?,12?,13+,14+,16-,18?/m1/s1

IUPAC

(1S,3S,5S)-2-((2S)-2-amino-2-(4-oxoadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat