Preferred Name |
montelukast |
|
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 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 |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_50730 |
|
alternative label |
(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 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 |
|
charge |
0 |
|
database_cross_reference |
Beilstein:7896575 KEGG:C07482 CAS:158966-92-8 KEGG:D08229 Drug_Central:1836 DrugBank:DB00471 PDBeChem:MTK Patent:EP1886997 Wikipedia:Montelukast |
|
formula |
C35H36ClNO3S |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_38070 |
|
has_alternative_id |
CHEBI:49756 CHEBI:6992 |
|
has_exact_synonym |
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 |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
(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 |
|
has_RxCUI |
88249 |
|
id |
CHEBI:50730 |
|
in_subset | ||
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 |
|
is conjugate acid of | ||
is_bearer_of | ||
label |
montelukast |
|
mass |
586.18398 |
|
monoisotopicmass |
585.21044 |
|
notation |
CHEBI:50730 |
|
prefLabel |
montelukast |
|
smiles |
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC1)CC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_22327 |