EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:92511 - ketotifen

ChEBI IDCHEBI:92511
ChEBI Nameketotifen
Stars
DefinitionAn organic heterotricyclic compound that is 4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one which is substituted at position 4 by a 1-methylpiperidin-4-ylidene group. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is used (usually as its hydrogen fumarate salt) for the treatment of asthma, where it may take several weeks to exert its full effect.
Last Modified14 April 2018
DownloadsMolfile
FormulaC19H19NOS
Net Charge0
Average Mass309.434
Monoisotopic Mass309.11874
SMILESCN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1
InChIInChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
InChIKeyZCVMWBYGMWKGHF-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
Applications:
anti-asthmatic drug  A drug used to treat asthma.
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
ChEBI Ontology
Outgoing Relation(s)
ketotifen (CHEBI:92511) has role anti-asthmatic drug (CHEBI:49167)
ketotifen (CHEBI:92511) has role H1-receptor antagonist (CHEBI:37955)
ketotifen (CHEBI:92511) is a cyclic ketone (CHEBI:3992)
ketotifen (CHEBI:92511) is a olefinic compound (CHEBI:78840)
ketotifen (CHEBI:92511) is a organic heterotricyclic compound (CHEBI:26979)
ketotifen (CHEBI:92511) is a organosulfur heterocyclic compound (CHEBI:38106)
ketotifen (CHEBI:92511) is a piperidines (CHEBI:26151)
ketotifen (CHEBI:92511) is a tertiary amino compound (CHEBI:50996)
ketotifen (CHEBI:92511) is conjugate base of ketotifen(1+) (CHEBI:140417)
Incoming Relation(s)
ketotifen(1+) (CHEBI:140417) is conjugate acid of ketotifen (CHEBI:92511)
IUPAC Name 
4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one
INNs  Source
ketotifenumChemIDplus
ketotifenChemIDplus
kétotifèneChemIDplus
ketotifenoChemIDplus
Synonym  Source
10-(1-methyl-4-piperidinylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-oneDrugCentral
Manual XrefsDatabases
LSM-2637LINCS
1530DrugCentral
KetotifenWikipedia
DE2111071Patent
US3682930Patent
HMDB0015056HMDB
DB00920DrugBank
D08105KEGG DRUG
Registry NumbersSources
CAS:34580-13-7DrugCentral
CAS:34580-13-7ChemIDplus
CAS:34580-13-7NIST Chemistry WebBook