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CHEBI:10100 - zafirlukast

ChEBI IDCHEBI:10100
ChEBI Namezafirlukast
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC31H33N3O6S
Net Charge0
Average Mass575.687
Monoisotopic Mass575.20901
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12
InChIInChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
InChIKeyYEEZWCHGZNKEEK-UHFFFAOYSA-N
Wikipedia
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 agent  Any compound that has anti-asthmatic effects.
ChEBI Ontology
Outgoing Relation(s)
zafirlukast (CHEBI:10100) has role anti-asthmatic agent (CHEBI:65023)
zafirlukast (CHEBI:10100) has role leukotriene antagonist (CHEBI:49159)
zafirlukast (CHEBI:10100) is a N-sulfonylcarboxamide (CHEBI:90852)
zafirlukast (CHEBI:10100) is a carbamate ester (CHEBI:23003)
zafirlukast (CHEBI:10100) is a indoles (CHEBI:24828)
IUPAC Name 
cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate
INN  Source
zafirlukastChemIDplus
Synonyms  Source
4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamideChEBI
cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamateChemIDplus
Brand Name  Source
AccolateKEGG DRUG
Manual XrefsDatabases
C07206KEGG COMPOUND
D00411KEGG DRUG
DB00549DrugBank
ZafirlukastWikipedia
HMDB0014689HMDB
LSM-5792LINCS
2855DrugCentral
Registry NumbersSources
Reaxys:3641829Reaxys
CAS:107753-78-6KEGG COMPOUND
CAS:107753-78-6ChemIDplus
Citations