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Product Overview

Product Code

TRC-A422961

CAS Number

2140263-92-7

Product Format

Neat

Molecular Formula

C25 D4 H24 N8 O2

Molecular Weight

476.567

Product Information

Chemical Data

Analyte Name

Linagliptin-D4 (1-piperidinyl-2,2,6,6-D4)

CAS Number

2140263-92-7

Molecular Formula

C25 D4 H24 N8 O2

Molecular Weight

476.567

Accurate Mass

476.259

SMILES

[2H]C1([2H])CC[C@@H](N)C([2H])([2H])N1c2nc3N(C)C(=O)N(Cc4nc(C)c5ccccc5n4)C(=O)c3n2CC#CC

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/i12D2,14D2

IUPAC

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

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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