CHEBI:92511 - ketotifen

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ChEBI Name ketotifen
ChEBI ID CHEBI:92511
Definition An 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.
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Formula C19H19NOS
Net Charge 0
Average Mass 309.427
Monoisotopic Mass 309.119
InChI InChI=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
InChIKey ZCVMWBYGMWKGHF-UHFFFAOYSA-N
SMILES CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
Application(s): 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.
anti-asthmatic drug
A drug used to treat asthma.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
ketotifen ChemIDplus
kétotifène ChemIDplus
ketotifeno ChemIDplus
ketotifenum ChemIDplus
Synonym Source
10-(1-methyl-4-piperidinylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one DrugCentral
Manual Xrefs Databases
1530 DrugCentral
D08105 KEGG DRUG
DB00920 DrugBank
DE2111071 Patent
HMDB0015056 HMDB
Ketotifen Wikipedia
LSM-2637 LINCS
US3682930 Patent
View more database links
Registry Numbers Types Sources
34580-13-7 CAS Registry Number NIST Chemistry WebBook
34580-13-7 CAS Registry Number DrugCentral
34580-13-7 CAS Registry Number ChemIDplus
Last Modified
14 April 2018