palonosetron (CHEBI:85161)

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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

Average Mass

296.40670

Monoisotopic Mass

296.18886

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.

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

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

Last Modified

22 February 2017