iloperidone (CHEBI:65173)

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ChEBI Name	iloperidone

ChEBI ID	CHEBI:65173

Definition	A member of the class of piperidines that is the 4-acetyl-2-methoxyphenyl ether of 3-(piperidin-1-yl)propan-1-ol which is substituted at position 4 of the piperidine ring by a 6-fluoro-1,2-benzoxazol-3-yl group. A member of the group of second generation antipsychotics (also known as an atypical antipsychotics), it is used for the treatment of schizophrenia.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Rebecca Foulger

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Formula

C24H27FN2O4

Net Charge

Average Mass

426.48060

Monoisotopic Mass

426.19549

InChI

InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3

InChIKey

XMXHEBAFVSFQEX-UHFFFAOYSA-N

SMILES

COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.

Application(s):	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists. second generation antipsychotic Antipsychotic drugs which can have different modes of action but which tend to be less likely than first generation antipsychotics to cause extrapyramidal motor control disabilities such as body rigidity or Parkinson's disease-type movements.

ChEBI Ontology
Outgoing	iloperidone (CHEBI:65173) has role dopaminergic antagonist (CHEBI:48561) iloperidone (CHEBI:65173) has role second generation antipsychotic (CHEBI:65191) iloperidone (CHEBI:65173) has role serotonergic antagonist (CHEBI:48279) iloperidone (CHEBI:65173) is a 1,2-benzoxazoles (CHEBI:51545) iloperidone (CHEBI:65173) is a aromatic ether (CHEBI:35618) iloperidone (CHEBI:65173) is a aromatic ketone (CHEBI:76224) iloperidone (CHEBI:65173) is a methyl ketone (CHEBI:51867) iloperidone (CHEBI:65173) is a monoamine (CHEBI:63534) iloperidone (CHEBI:65173) is a organofluorine compound (CHEBI:37143) iloperidone (CHEBI:65173) is a piperidines (CHEBI:26151) iloperidone (CHEBI:65173) is a tertiary amino compound (CHEBI:50996)

IUPAC Name

1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethanone

Synonyms	Sources
1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1- piperidinyl]propoxy]-3-methoxyphenyl]ethanone	ChEBI
4'-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino)propoxy)-3'-methoxyacetophenone	ChemIDplus

Last Modified

22 February 2017