Analyte Name

Linagliptin-13C,D3 (2-butyn-1-yl-4-13C,4,4,4-D3)

CAS Number

1398044-43-3

Molecular Formula

13C C24 D3 H25 N8 O2

Molecular Weight

476.553

Accurate Mass

476.256

SMILES

[2H][13C]([2H])([2H])C#CCn1c(nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N5CCC[C@@H](N)C5

InChI

InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1/i1+1D3

IUPAC

8-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-7-(4,4,4-trideuterio(4^{13}C)but-2-ynyl)purine-2,6-dione

Unlabelled CAS Number

668270-12-0

SIL Type

Deuterium, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled; API

Product Format

Neat