Defined bychebi
Exact Synonyms
Montelukast
MONTELUKAST
{1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid
Related Synonyms
(R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid
1-[[[(1 R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl] phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfanyl]methyl]cyclopropaneacetic acid
montelukast
class Information
charge
0
formula
C35H36ClNO3S
has_alternative_id
has_dbxref
- Beilstein:7896575
- CAS:158966-92-8
- DrugBank:DB00471
- Drug_Central:1836
- KEGG:C07482
- KEGG:D08229
- Patent:EP1886997
- PDBeChem:MTK
- Wikipedia:Montelukast
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(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-/m1/s1
inchikey
UCHDWCPVSPXUMX-TZIWLTJVSA-N
in_subset
mass
586.18398
monoisotopicmass
585.21044
smiles
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC1)CC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
class Relations
Subclass of