Montelukast Sulfoxide (Mixture of Diastereomers)

CAS: 1152185-58-4

Ref. TR-M568020

Product Information

• Name: Montelukast Sulfoxide (Mixture of Diastereomers)
• Synonyms: 1-[[[1-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfinyl]methyl]cyclopropaneacetic Acid, Montelukast Sulfoxide, Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfinyl]methyl]-, 1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfinyl]methyl]cyclopropaneacetic acid, Montelukast sulfoxide, [1-[[[(1R)-1-[3-[(E)-2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfinyl]methyl]cyclopropyl]acetic acid, 1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfinyl]methyl]cyclopropaneacetic Acid, Montelukast M2, Montelukast EP Impurity C, Montelukast USP Related Compound C
• Brand: TRC

Description

Impurity Montelukast EP Impurity C; Montelukast USP Related Compound A; Montelukast Sulfoxid
Applications Montelukast Sulfoxide (Montelukast EP Impurity C; Montelukast USP Related Compound A; Montelukast Sulfoxid) is a metabolite of Montelukast.
References Madan, A., et al.: Biochem. Pharmacol., 46, 2291 (1993), Blake, B.L., et al.: Xenobiotica, 25, 377 (1995), LaBelle, M., et al.: Bioorg. Med. Chem. Lett., 5, 283 (1995), Chiba, M., et al.: Drug Metab. Dispos., 24, 307 (1996),

Chemical properties

• Molecular weight: 602.18
• Formula: C₃₅H₃₆ClNO₄S
• Color/Form: Neat
• InChI: InChI=1S/C35H36ClNO4S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(42(41)23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-,42?/m1/s1
• InChI key: InChIKey=QFTNWCBEAVHLQA-OUIQAARNSA-N
• SMILES: CC(C)(O)c1ccccc1CC[C@H](c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)[S@](=O)CC1(CC(=O)O)CC1