67LX7DAR3J

2-[2-[(3R)-3-[[1-(carboxymethyl)cyclopropyl]methylsulfanyl]-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]-2-hydroxypropanoic acid

Also Known As: Montelukast Dicarboxylic Acid|(Mixture of Diastereomers)"|MONTELUKAST METABOLITE M4|2-((3R)-3-(((1-(Carboxymethyl)cyclopropyl)methyl)thio)-3-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)propyl)-alpha-hydroxy-alpha-methylbenzeneacetic acid|Montelukast Dicarboxylic Acid(Mixture of Diastereomers)|2-[2-[(3R)-3-[[1-(carboxymethyl)cyclopropyl]methylsulfanyl]-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]-2-hydroxypropanoic acid|Montelukast Dicarboxylic Acid (Mixture of Diastereomers)|Benzeneacetic acid, 2-((3R)-3-(((1-(carboxymethyl)cyclopropyl)methyl)thio)-3-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)propyl)-alpha-hydroxy-alpha-methyl-|2-((3R)-3-(((1-(CARBOXYMETHYL)CYCLOPROPYL)METHYL)THIO)-3-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)PROPYL)-.ALPHA.-HYDROXY-.ALPHA.-METHYLBENZENEACETIC ACID|BENZENEACETIC ACID, 2-((3R)-3-(((1-(CARBOXYMETHYL)CYCLOPROPYL)METHYL)THIO)-3-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)PROPYL)-.ALPHA.-HYDROXY-.ALPHA.-METHYL-|2-[(3R)-3-[[[1-(Carboxymethyl)cyclopropyl]methyl]thio]-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]propyl]-|A-hydroxy-|A-methylbenzeneacetic Acid|2-[(3R)-3-[[[1-(Carboxymethyl)cyclopropyl]methyl]thio]-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]propyl]-alpha-hydroxy-alpha-methylbenzeneacetic Acid|2-{2-[(3R)-3-({[1-(Carboxymethyl)cyclopropyl]methyl}sulfanyl)-3-{3-[(E)-2-(7-chloroquinolin-2-yl)ethen-1-yl]phenyl}propyl]phenyl}-2-hydroxypropanoic acid

Molecular Formula	C35H34ClNO5S
Molecular Weight	615.18463 g/mol
LogP	8.0127
Topological Polar Surface Area	107.72 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	13
Exact Mass	615.18463
Monoisotopic Mass	615.18463
Heavy Atoms	43
Complexity	1680.1697

Chemical Identifiers

CAS Number	213380-27-9
SMILES	CC(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)(C(=O)O)O