Hydroxy Saxagliptin-13C,D2 Hydrochloride

Analyte Name

Hydroxy Saxagliptin-13C,D2 Hydrochloride

CAS Number

1572922-53-2

Molecular Formula

C17 13C H23 D2 N3 O3 . HCl

Molecular Weight

370.88

Accurate Mass

370.18

SMILES

N[C@@H]([C@@]1(C[C@](C2)(O)C3)C[C@H]2C[C@@]3(O)C1)C(N4[C@H](C#N)C[C@H]5[C@@H]4[13C]5([2H])[2H])=O.Cl

InChI

InChI=1S/C18H25N3O3.ClH/c19-6-12-1-11-2-13(11)21(12)15(22)14(20)16-3-10-4-17(23,7-16)9-18(24,5-10)8-16;/h10-14,23-24H,1-5,7-9,20H2;1H/t10-,11-,12?,13+,14-,16-,17+,18-;/m1./s1/i2+1D2;

IUPAC

(1S,3S,5S)-2-((S)-2-amino-2-((1r,3R,5S,7S)-3,5-dihydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-6-13C-6,6-d2-3-carbonitrile hydrochloride

Alternate CAS Number

Free Base: 1573403-06-1

Unlabelled CAS Number

841302-24-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat