CHEBI:31750 - ketotifen fumarate

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ChEBI Name ketotifen fumarate
ChEBI ID CHEBI:31750
Definition An organoammonium salt consisting of equimolar amounts of ketotifen(1+) and fumarate(1−) ions. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is a non-bronchodilator anti-asthmatic drug.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C23H23NO5S
Net Charge 0
Average Mass 425.499
Monoisotopic Mass 425.12969
InChI InChI=1S/C19H19NOS.C4H4O4/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;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey YNQQEYBLVYAWNX-WLHGVMLRSA-N
SMILES C1(CC=2C(C(C3=C1SC=C3)=C4CC[NH+](CC4)C)=CC=CC2)=O.C(/C=C/C(O)=O)([O-])=O
Roles Classification
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): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ketotifen fumarate (CHEBI:31750) has part fumarate(1−) (CHEBI:37154)
ketotifen fumarate (CHEBI:31750) has part ketotifen(1+) (CHEBI:140417)
ketotifen fumarate (CHEBI:31750) has role anti-asthmatic drug (CHEBI:49167)
ketotifen fumarate (CHEBI:31750) has role H1-receptor antagonist (CHEBI:37955)
ketotifen fumarate (CHEBI:31750) is a organoammonium salt (CHEBI:46850)
Manual Xrefs Databases
D01332 KEGG DRUG
HMDB0015056 HMDB
Ketotifen Wikipedia
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Registry Numbers Types Sources
34580-14-8 CAS Registry Number ChemIDplus
4089486 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20516323 PubMed citation Europe PMC
21043996 PubMed citation Europe PMC
22773177 PubMed citation Europe PMC
27403262 PubMed citation Europe PMC
28496459 PubMed citation Europe PMC
Last Modified
13 March 2018