Sitagliptin Hydroxy Amide Impurity
[CAS 1253056-01-7]

Identification

• Name: Sitagliptin Hydroxy Amide Impurity
• Synonyms: 3-hydroxy-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
• Molecular Formula: C₁₆H₁₄F₆N₄O₂
• Molecular Weight: 408.30
• CAS Registry Number: 1253056-01-7
• SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)O

Properties

• Density: 1.6±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.580, Calc.^*
• Boiling Point: 542.2±60.0 °C (760 mmHg), Calc.^*
• Flash Point: 281.7±32.9 °C, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302+H312+H332-H315-H319
• Safety Statements: P261-P271-P280-P302+P352-P305+P351+P338