Linagliptine Chloro Impurity
[CAS# 2138805-26-0]

Identification

• Name: Linagliptine Chloro Impurity
• Synonyms: 8-(3-Aminopiperidin-1-yl)-7-(3-chlorobut-2-en-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione
• Molecular Formula: C₂₅H₂₉ClN₈O₂
• Molecular Weight: 509.00
• CAS Registry Number: 2138805-26-0
• SMILES: CC1=NC(=NC2=CC=CC=C12)CN3C(=O)C4=C(N=C(N4C/C=C(/C)\Cl)N5CCCC(C5)N)N(C3=O)C

Properties

• Density: 1.5±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.723, Calc.^*
• Boiling Point: 635.3±65.0 ºC (760 mmHg), Calc.^*
• Flash Point: 338.0±34.3 ºC, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H315-H319-H335
• Precautionary Statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501