Analyte Name

Hydroxy Saxagliptin-15N,D2 Hydrochloride

CAS Number

1309934-05-1

Molecular Formula

C18H23D2N2¹⁵NO3.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#[15N])C[C@H]5[C@@H]4C5([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/i2D2,19+1;

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-6,6-d2-3-carbonitrile-15N hydrochloride

Alternate CAS Number

Free base: 1310011-47-2

Unlabelled CAS Number

841302-24-7

SIL Type

Deuterium, Nitrogen

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat