CHEBI:85161 - palonosetron

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ChEBI Name palonosetron
ChEBI ID CHEBI:85161
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H24N2O
Net Charge 0
Average Mass 296.40670
Monoisotopic Mass 296.189
InChI InChI=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
InChIKey CPZBLNMUGSZIPR-NVXWUHKLSA-N
SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2
Roles Classification
Biological Role(s): serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
Application(s): 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.
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ChEBI Ontology
Outgoing palonosetron (CHEBI:85161) has role antiemetic (CHEBI:50919)
palonosetron (CHEBI:85161) has role serotonergic antagonist (CHEBI:48279)
palonosetron (CHEBI:85161) is a δ-lactam (CHEBI:77727)
palonosetron (CHEBI:85161) is a azabicycloalkane (CHEBI:38295)
palonosetron (CHEBI:85161) is a organic heterotricyclic compound (CHEBI:26979)
palonosetron (CHEBI:85161) is conjugate base of palonosetron(1+) (CHEBI:85163)
Incoming 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 Sources
palonosetron DrugBank
palonosetron KEGG DRUG
palonosétron DrugBank
palonosetrón DrugBank
palonosetronum DrugBank
Synonym Source
2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one ChemIDplus
Manual Xrefs Databases
2046 DrugCentral
D07175 KEGG DRUG
DB00377 DrugBank
HMDB0014521 HMDB
LSM-5266 LINCS
Palonosetron Wikipedia
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Registry Numbers Types Sources
135729-61-2 CAS Registry Number KEGG DRUG
135729-61-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017