2’-Des(1-hydroxy-1-methylethyl)-2’-methycarboxy Montelukast Hydrochloride

CAS: 906107-37-7

Ref. TR-D290041

Product Information

• Name: 2’-Des(1-hydroxy-1-methylethyl)-2’-methycarboxy Montelukast Hydrochloride
• Synonyms: 2-[1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-(2-methoxycarbonylphenyl)propyl]thio]methyl]cyclopropyl]acetic Acid Hydrochloride, 2-[(3R)-3-[[[1-(Carboxymethyl)cyclopropyl]methyl]thio]-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]propyl]benzoic Acid 1-Methyl Ester Hydrochloride
• Brand: TRC
• Description: Applications 2’-Des(1-hydroxy-1-methylethyl)-2’-methycarboxy Montelukast Hydrochloride is an impurity of Montelukast (M568000), a selective leukotriene D4-receptor antagonist.References Kumar, I.V. et al.: Asian J. Chem., 23, 4536 (2011)

Chemical properties

• Molecular weight: 622.6
• Formula: C₃₄H₃₃Cl₂NO₄S
• Color/Form: Neat
• InChI: InChI=1S/C34H32ClNO4S.ClH/c1-40-33(39)29-8-3-2-6-24(29)12-16-31(41-22-34(17-18-34)21-32(37)38)26-7-4-5-23(19-26)9-14-28-15-11-25-10-13-27(35)20-30(25)36-28;/h2-11,13-15,19-20,31H,12,16-18,21-22H2,1H3,(H,37,38);1H/b14-9+;/t31-;/m1./s1
• InChI key: InChIKey=PSZOCKVZAOVFPW-AEADHHNXSA-N
• SMILES: COC(=O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.Cl