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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | ketotifen fumarate | |
| Synonyms |
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| Definitions |
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. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_31750 |
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| charge |
0
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| database_cross_reference |
PMID:27403262 Wikipedia:Ketotifen HMDB:HMDB0015056 KEGG:D01332 PMID:28496459 CAS:34580-14-8 PMID:21043996 PMID:20516323 Reaxys:4089486 PMID:22773177
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| 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.
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| formula |
C23H23NO5S
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| has part | ||
| has role | ||
| has_obo_namespace |
chebi_ontology
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| id |
CHEBI:31750
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| in_subset | ||
| 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+
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| inchikey |
YNQQEYBLVYAWNX-WLHGVMLRSA-N
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| label |
ketotifen fumarate
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| mass |
425.499
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| monoisotopicmass |
425.12969
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| notation |
CHEBI:31750
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| prefLabel |
ketotifen fumarate
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| smiles |
C1(CC=2C(C(C3=C1SC=C3)=C4CC[NH+](CC4)C)=CC=CC2)=O.C(/C=C/C(O)=O)([O-])=O
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| treeView | ||
| subClassOf |
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