EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:53783 - alosetron hydrochloride

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:
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.
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
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
Alosetron HClDrugBank
2,3,4,5-Tetrahydro-5-methyl-2-((5-methylimidazol-4-yl)methyl)-1H-pyrido(4,3-b)indol-1-one monohydrochlorideChemIDplus
Manual XrefsDatabases
D02829KEGG DRUG
DB00969DrugBank
Registry NumbersSources
Beilstein:8455746Beilstein
CAS:122852-69-1KEGG DRUG
CAS:122852-69-1ChemIDplus