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Linagliptin-[d3]

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General Information
Catalog: BLP-012414
CAS: 1398044-48-8
Molecular Formula: C25H25D3N8O2
Molecular Weight: 475.56

Chemical Structure

Description	Linagliptin-[d3] is the isotope labelled analogue of a novel potent and selective dipeptidyl peptidase-4 (DPP-4) inhibitor with potential use in the treatment of type 2 diabetes.
Synonyms	Linagliptin-d3; 8-[(3R)-3-Amino-1-piperidinyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione-d3; 8-[(3R)-3-Amino-1-piperidinyl]-7-(2-butynyl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione-d3
Related CAS	668270-12-0 (unlabelled)
Canonical SMILES	CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
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
InChI Key	LTXREWYXXSTFRX-JCNGFBMWSA-N
Boiling Point	661.2±65.0 °C at 760 mmHg
Purity	95% by HPLC; 95% atom D
Density	1.4±0.1 g/cm3