iloperidone (CHEBI:65173)

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CHEBI:65173 - iloperidone

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ChEBI ID	CHEBI:65173
ChEBI Name	iloperidone
Stars
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.
Last Modified	22 February 2017
Submitter	Rebecca Foulger
Downloads	Molfile

Formula	C24H27FN2O4
Net Charge	0
Average Mass	426.488
Monoisotopic Mass	426.19549
SMILES	COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
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

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists. serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
Applications:	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. dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists. serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.

ChEBI Ontology

Outgoing Relation(s)
	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

INNs	Source
iloperidonum	WHO MedNet
ilopéridone	WHO MedNet
iloperidone	WHO MedNet
iloperidona	WHO MedNet

Synonyms	Source
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

Brand Names	Source
Fanapt	SUBMITTER
Fanapta	SUBMITTER
Zomaril	SUBMITTER

Manual Xrefs	Databases
D02666	KEGG DRUG
Iloperidone	Wikipedia
LSM-5598	LINCS
3294	DrugCentral

Registry Numbers	Sources
Reaxys:7233425	Reaxys
CAS:133454-47-4	SUBMITTER
CAS:133454-47-4	ChemIDplus

Citations