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CHEBI:75310 - tomelukast

ChEBI IDCHEBI:75310
ChEBI Nametomelukast
Stars
DefinitionA member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity.
Last Modified25 February 2016
Submitternamrata
DownloadsMolfile
FormulaC16H22N4O3
Net Charge0
Average Mass318.377
Monoisotopic Mass318.16919
SMILESCCCc1c(OCCCCc2nnnn2)ccc(C(C)=O)c1O
InChIInChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
InChIKeyMWYHLEQJTQJHSS-UHFFFAOYSA-N
Roles Classification
Biological Role:
leukotriene antagonist  A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level.
Applications:
leukotriene antagonist  A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level.
anti-asthmatic drug  A drug used to treat asthma.
ChEBI Ontology
Outgoing Relation(s)
tomelukast (CHEBI:75310) has role anti-asthmatic drug (CHEBI:49167)
tomelukast (CHEBI:75310) has role leukotriene antagonist (CHEBI:49159)
tomelukast (CHEBI:75310) is a acetophenones (CHEBI:22187)
tomelukast (CHEBI:75310) is a aromatic ether (CHEBI:35618)
tomelukast (CHEBI:75310) is a phenols (CHEBI:33853)
tomelukast (CHEBI:75310) is a tetrazoles (CHEBI:35689)
IUPAC Name 
1-{2-hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)butoxy]phenyl}ethanone
INNs  Source
tomelukastChemIDplus
tomelukastWHO MedNet
tomelukastumWHO MedNet
tomélukastWHO MedNet
Synonyms  Source
2'-hydroxy-3'-propyl-4'-(4-(1H-tetrazol-5-yl)butoxy)acetophenoneChemIDplus
LY171883ChEBI
Manual XrefsDatabases
D02851KEGG DRUG
LSM-3675LINCS
Registry NumbersSources
Reaxys:4238438Reaxys
CAS:88107-10-2ChemIDplus
Citations