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CHEBI:53783 - alosetron hydrochloride

Default Structure
ChEBI IDCHEBI:53783
ChEBI Namealosetron hydrochloride
Stars
DefinitionThe hydrochloride salt of alosetron.
Last Modified13 June 2014
SubmitterSteve
DownloadsMolfile
FormulaH.C17H18N4O.Cl
Net Charge0
Average Mass330.819
Monoisotopic Mass330.12474
SMILESCc1ncnc1CN1CCc2c(c3ccccc3n2C)C1=O.[Cl-].[H+]
InChIInChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H
InChIKeyFNYQZOVOVDSGJH-UHFFFAOYSA-N
Roles Classification
Biological Role:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
Applications:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
antiemetic  A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors.
ChEBI Ontology
Outgoing Relation(s)
alosetron hydrochloride (CHEBI:53783) has part alosetron (CHEBI:253342)
alosetron hydrochloride (CHEBI:53783) has role antiemetic (CHEBI:50919)
alosetron hydrochloride (CHEBI:53783) has role serotonergic antagonist (CHEBI:48279)
alosetron hydrochloride (CHEBI:53783) is a hydrochloride (CHEBI:36807)
IUPAC Name 
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one hydrochloride
INN  Source
alosetronChEBI
Synonyms  Source
2,3,4,5-Tetrahydro-5-methyl-2-((5-methylimidazol-4-yl)methyl)-1H-pyrido(4,3-b)indol-1-one monohydrochlorideChemIDplus
Alosetron HClDrugBank
Manual XrefsDatabases
D02829KEGG DRUG
DB00969DrugBank
Registry NumbersSources
Beilstein:8455746Beilstein
CAS:122852-69-1KEGG DRUG
CAS:122852-69-1ChemIDplus