1-[2-[(3S)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]acetate

CAS: 184764-13-4

Ref. 3D-FC20040

Product Information

• Name: 1-[2-[(3S)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]acetate
• Synonyms: [S-(E)]-1-[2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]ethanone
• CAS: 184764-13-4

Description

The impurity 1-[2-[(3S)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]acetate is an organic compound. It is a metabolite of the drug montelukast sodium, which is used for the treatment of asthma and other allergic disorders. The compound has been found in rats to have toxicological effects on the liver and kidneys. Impurities can be identified by their retention time on a chromatographic column. This impurity was detected using an ethanone extraction followed by a thin layer chromatography analysis with a solvent mixture of methanol and acetic acid (9:1).

• Brand: Biosynth

Chemical properties

• Molecular weight: 441.95 g/mol
• Formula: C₂₈H₂₄ClNO₂
• Purity: Min. 95%
• InChI: InChI=1S/C28H24ClNO2/c1-19(31)26-8-3-2-6-21(26)12-16-28(32)23-7-4-5-20(17-23)9-14-25-15-11-22-10-13-24(29)18-27(22)30-25/h2-11,13-15,17-18,28,32H,12,16H2,1H3/b14-9+/t28-/m0/s1
• InChI key: InChIKey=NZSTWJFMJOWIJY-CWBDRXANSA-N
• SMILES: CC(=O)c1ccccc1CC[C@H](O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1