Montelukast
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
Molecular Identity
Montelukast
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
PubChem CID: 5281040
Montelukast is an aliphatic sulfide, a monocarboxylic acid and a member of quinolines. It has a role as an anti-arrhythmia drug, a leukotriene antagonist and an anti-asthmatic drug. It is a conjugate acid of a montelukast(1-).
2D Structure
Properties
C35H36ClNO3S
Molecular Formula
586.20
Molecular Weight
g/mol
585.2104
Exact Mass
Da
7.7
XLogP
Above Lipinski threshold
95.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
891
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)OIsomeric SMILES
SMILES: CC(C)(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)OSynonyms(20)
montelukast158966-92-8Brondilat(R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acidMHM278SD3E1-((((1R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acidDTXSID9023334CHEBI:50730Cyclopropaneacetic acid, 1-(((1-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-, (R-(E))-1-[[[(1 R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl] phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfanyl]methyl]cyclopropaneacetic acidMontelukastum1-((((1 R)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl) phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)sulfanyl)methyl)cyclopropaneacetic acidRefChem:6040DTXCID403334R03DC03
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Montelukast
Loading drug network...