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CHEBI:85161 - palonosetron

Default Structure
ChEBI IDCHEBI:85161
ChEBI Namepalonosetron
Stars
DefinitionAn organic heterotricyclic compound that is an antiemetic used (as its hydrochloride salt) in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC19H24N2O
Net Charge0
Average Mass296.414
Monoisotopic Mass296.18886
SMILES[H][C@]12CCCc3cccc(c31)C(=O)N([C@@H]1CN3CCC1CC3)C2
InChIInChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
InChIKeyCPZBLNMUGSZIPR-NVXWUHKLSA-N
Wikipedia
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)
palonosetron (CHEBI:85161) has role antiemetic (CHEBI:50919)
palonosetron (CHEBI:85161) has role serotonergic antagonist (CHEBI:48279)
palonosetron (CHEBI:85161) is a azabicycloalkane (CHEBI:38295)
palonosetron (CHEBI:85161) is a organic heterotricyclic compound (CHEBI:26979)
palonosetron (CHEBI:85161) is a δ-lactam (CHEBI:77727)
palonosetron (CHEBI:85161) is conjugate base of palonosetron(1+) (CHEBI:85163)
Incoming Relation(s)
palonosetron(1+) (CHEBI:85163) is conjugate acid of palonosetron (CHEBI:85161)
IUPAC Name 
(3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one
INNs  Source
palonosetronKEGG DRUG
palonosetronDrugBank
palonosetrónDrugBank
palonosétronDrugBank
palonosetronumDrugBank
Synonym  Source
2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-oneChemIDplus
Manual XrefsDatabases
2046DrugCentral
D07175KEGG DRUG
DB00377DrugBank
HMDB0014521HMDB
LSM-5266LINCS
PalonosetronWikipedia
Registry NumbersSources
CAS:135729-61-2KEGG DRUG
CAS:135729-61-2ChemIDplus
Citations