Montelukast ketone impurity

CAS: 1258428-71-5

Ref. 3D-IM111859

Product Information

• Name: Montelukast ketone impurity
• Synonyms: 1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]-1-propanone
• Brand: Biosynth
• Description: The impurity (2,6-dichlorobenzaldehyde) is a metabolite of montelukast. It is an analytical impurity that has been quantified in the drug product and has also been found to be present in the synthetic process. The impurity standard was developed using HPLC. It can be used as a high purity reference material for pharmacopoeia and custom synthesis.

Chemical properties

• Molecular weight: 455.97 g/mol
• Formula: C₂₉H₂₆ClNO₂
• Purity: Min. 95%
• Color/Form: Powder
• InChI: InChI=1S/C29H26ClNO2/c1-29(2,33)26-9-4-3-7-21(26)13-17-28(32)23-8-5-6-20(18-23)10-15-25-16-12-22-11-14-24(30)19-27(22)31-25/h3-12,14-16,18-19,33H,13,17H2,1-2H3/b15-10+
• InChI key: InChIKey=RHXXYWBMAWLSOS-XNTDXEJSSA-N
• SMILES: CC(C)(O)c1ccccc1CCC(=O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1