EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:7774 - Ondansetron hydrochloride

Default Structure
ChEBI IDCHEBI:7774
ChEBI NameOndansetron hydrochloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC18H19N3O.2H2O.HCl
Net Charge0
Average Mass365.861
Monoisotopic Mass365.15062
SMILESCc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O.O
InChIInChI=1S/C18H19N3O.ClH.2H2O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;;;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H;2*1H2
InChIKeyVRSLTNZJOUZKLX-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
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)
Ondansetron hydrochloride (CHEBI:7774) has role analgesic (CHEBI:35480)
Ondansetron hydrochloride (CHEBI:7774) has role antibacterial agent (CHEBI:33282)
Ondansetron hydrochloride (CHEBI:7774) has role antiemetic (CHEBI:50919)
Ondansetron hydrochloride (CHEBI:7774) has role antineoplastic agent (CHEBI:35610)
Ondansetron hydrochloride (CHEBI:7774) is a carbazoles (CHEBI:48513)
Synonyms  Source
GR 38032FChEMBL
GR-C507/75ChEMBL
NSC-665799ChEMBL
Odansetron hydrochlorideChEMBL
Ondansetron (as hydrochloride)ChEMBL
Ondansetron hydrochlorideKEGG COMPOUND
Brand Names  Source
DemoremChEMBL
Ondansetron hydrochloride preservative freeChEMBL
OndemetChEMBL
SetofilmChEMBL
ZofranChEMBL
Zofran preservative freeChEMBL
Manual XrefsDatabases
D00678KEGG DRUG
Registry NumbersSources
CAS:103639-04-9KEGG COMPOUND