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Chemical Entities of Biological Interest Ontology
| Preferred Name | ketotifen | |
| Synonyms |
ketotifeno ketotifenum ketotifene 10-(1-methyl-4-piperidinylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one ketotifen 4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one |
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| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_92511 |
|
| charge |
0
|
|
| database_cross_reference |
LINCS:LSM-2637 CAS:34580-13-7 Wikipedia:Ketotifen KEGG:D08105 HMDB:HMDB0015056 Drug_Central:1530 Patent:US3682930 DrugBank:DB00920 Patent:DE2111071
|
|
| 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
|
|
| has role | ||
| has_exact_synonym |
4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
ketotifeno ketotifenum ketotifene 10-(1-methyl-4-piperidinylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one ketotifen
|
|
| id |
CHEBI:92511
|
|
| in_subset | ||
| 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
|
|
| is conjugate base of | ||
| label |
ketotifen
|
|
| mass |
309.427
|
|
| monoisotopicmass |
309.11874
|
|
| notation |
CHEBI:92511
|
|
| prefLabel |
ketotifen
|
|
| smiles |
CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_26979 http://purl.obolibrary.org/obo/CHEBI_78840 http://purl.obolibrary.org/obo/CHEBI_38106 http://purl.obolibrary.org/obo/CHEBI_3992 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26979 http://purl.obolibrary.org/obo/CHEBI_78840 http://purl.obolibrary.org/obo/CHEBI_38106 http://purl.obolibrary.org/obo/CHEBI_3992 |
| Delete | Subject | Author | Type | Created |
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| No notes to display |