CAS No 158966-92-8 , 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-
hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid

Title: Montelukast
CAS Registry Number: 158966-92-8
CAS Name: 1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid
Molecular Formula: C35H36ClNO3S
Molecular Weight: 586.18
Percent Composition: C 71.71%, H 6.19%, Cl 6.05%, N 2.39%, O 8.19%, S 5.47%
Literature References: Selective cysteinyl leukotriene type 1 receptor antagonist. Prepn: M. L. Belley et al., EP 480717; eidem, US 5565473 (1992, 1996 both to Merck Frosst); M. Labelle et al., Bioorg. Med. Chem. Lett. 5, 283 (1995). Pharmacological profile: T. R. Jones et al., Can. J. Physiol. Pharmacol. 73, 191 (1995). LC determn in human plasma: R. D. Amin et al., J. Pharm. Biomed. Anal. 13, 155 (1995). Review of pharmacology and clinical efficacy in asthma: A. Markham, D. Faulds, Drugs 56, 251-256 (1998). Clinical trial in pediatric asthma: B. Knorr et al., J. Am. Med. Assoc. 279, 1181 (1998); with loratadine, q.v., in allergic rhinitis: E. O. Meltzer et al., J. Allergy Clin. Immunol. 105, 917 (2000). Comparison with cetirizine, q.v., in urticaria: M. L. Pacor et al., Clin. Exp. Allergy 31, 1607 (2001). Review of pharmacology and clinical experience: Z. Diamant, A. P. Sampson, J. Drug Eval. Respir. Med. 1, 53-88 (2002).
 
Derivative Type: Monosodium salt
CAS Registry Number: 151767-02-1
Manufacturers' Codes: MK-476
Trademarks: Singulair (Merck & Co.)
Molecular Formula: C35H35ClNNaO3S
Molecular Weight: 608.17
Percent Composition: C 69.12%, H 5.80%, Cl 5.83%, N 2.30%, Na 3.78%, O 7.89%, S 5.27%
Properties: Hygroscopic, white to off-white powder. Freely sol in ethanol, methanol, water. Practically insol in acetonitrile.
 
Therap-Cat: Antiasthmatic.
Keywords: Antiasthmatic (Nonbronchodilator); Leukotriene Antagonist.