Analyte Name

Linagliptin Acetamide-d3

Molecular Formula

C27 D3 H27 N8 O3

Molecular Weight

517.597

Accurate Mass

517.263

SMILES

[2H]C([2H])([2H])C(=O)N[C@@H]1CCCN(C1)c2nc3N(C)C(=O)N(Cc4nc(C)c5ccccc5n4)C(=O)c3n2CC#CC

InChI

InChI=1S/C27H30N8O3/c1-5-6-14-34-23-24(31-26(34)33-13-9-10-19(15-33)29-18(3)36)32(4)27(38)35(25(23)37)16-22-28-17(2)20-11-7-8-12-21(20)30-22/h7-8,11-12,19H,9-10,13-16H2,1-4H3,(H,29,36)/t19-/m1/s1/i3D3

IUPAC

N-[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]-2,2,2-trideuterioacetamide

Alternate CAS Number

1297274-00-0 Radioisotope Labelled

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat