Linagliptin Impurity S
[CAS 668273-74-3]

Identification

• Name: Linagliptin Impurity S
• Synonyms: Tert-butyl (s)-(1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)piperidin-3-yl)carbamate
• Molecular Formula: C₃₀H₃₆N₈O₄
• Molecular Weight: 572.66
• CAS Registry Number: 668273-74-3
• SMILES: CC#CCN1C2=C(N=C1N3CCC[C@@H](C3)NC(=O)OC(C)(C)C)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C

Properties

• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.659, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.