Product Code

TRC-L465902

CAS Number

1398044-48-8

Product Format

Neat

Molecular Formula

C25 D3 H25 N8 O2

Molecular Weight

475.561

API Family

Linagliptin

Product Categories

TRC, Stable isotopes, Stable Isotope Labelled Analytical Standards, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

668270-12-0

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

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

CAS Number

1398044-48-8

Molecular Formula

C25 D3 H25 N8 O2

Molecular Weight

475.561

Accurate Mass

475.252

SMILES

[2H]C([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/i1D3

IUPAC

8-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-7-(4,4,4-trideuteriobut-2-ynyl)purine-2,6-dione

Unlabelled CAS Number

668270-12-0

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Linagliptin

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