Analyte Name

Saxagliptin-13C-D2 Hydrochloride

CAS Number

2699827-95-5

Molecular Formula

13C C17 D2 H23 N3 O2 . H Cl

Molecular Weight

354.876

Accurate Mass

354.187

SMILES

Cl.[2H][13C]1([2H])[C@H]2C[C@@H](C#N)N([C@@H]12)C(=O)[C@@H](N)[C@@]34C[C@@H]5C[C@@H](C[C@@](O)(C5)C3)C4

InChI

InChI=1S/C18H25N3O2.ClH/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;/h10-15,23H,1-7,9,20H2;1H/t10-,11+,12-,13+,14+,15-,17+,18-;/m1./s1/i3+1D2;

IUPAC

(1S,3S,5S)-2-[(2S)-2-amino-2-[(5R,7S)-3-hydroxy-1-adamantyl]acetyl]-6,6-dideuterio-2-azabicyclo[3.1.0]hexane-3-carbonitrile;hydrochloride

SIL Type

Deuterium, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat