Preferred Name |
montelukast |
|
Synonyms |
|
|
ID |
http://purl.obolibrary.org/obo/CHEBI_50730 |
|
charge |
0 |
|
formula |
C35H36ClNO3S |
|
has characteristic |
http://purl.obolibrary.org/obo/CHEBI_38070 |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_38070 |
|
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 | ||
label |
montelukast |
|
mass |
586.18398 |
|
monoisotopicmass |
585.21044 |
|
prefixIRI |
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 |
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