CHEBI:31236 - aripiprazole

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ChEBI Name aripiprazole
ChEBI ID CHEBI:31236
Definition An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB6851738
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Ozone () (or trioxygen) is an inorganic molecule with the chemical formula O3. It is a pale blue gas with a distinctively pungent smell. It is an allotrope of oxygen that is much less stable than the diatomic allotrope O2, breaking down in the lower atmosphere to O2 (dioxygen). Ozone is formed from dioxygen by the action of ultraviolet (UV) light and electrical discharges within the Earth's atmosphere. It is present in very low concentrations throughout the atmosphere, with its highest concentration high in the ozone layer of the stratosphere, which absorbs most of the Sun's ultraviolet (UV) radiation. Ozone's odor is reminiscent of chlorine, and detectable by many people at concentrations of as little as 0.1 ppm in air. Ozone's O3 structure was determined in 1865. The molecule was later proven to have a bent structure and to be weakly diamagnetic. At standard temperature and pressure, ozone is a pale blue gas that condenses at cryogenic temperatures to a dark blue liquid and finally a violet-black solid. Ozone's instability with regard to more common dioxygen is such that both concentrated gas and liquid ozone may decompose explosively at elevated temperatures, physical shock, or fast warming to the boiling point. It is therefore used commercially only in low concentrations. Ozone is a powerful oxidizing agent (far more so than dioxygen) and has many industrial and consumer applications related to oxidation. This same high oxidizing potential, however, causes ozone to damage mucous and respiratory tissues in animals, and also tissues in plants, above concentrations of about 0.1 ppm. While this makes ozone a potent respiratory hazard and pollutant near ground level, a higher concentration in the ozone layer (from two to eight ppm) is beneficial, preventing damaging UV light from reaching the Earth's surface.
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Formula C23H27Cl2N3O2
Net Charge 0
Average Mass 448.390
Monoisotopic Mass 447.14803
InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
InChIKey CEUORZQYGODEFX-UHFFFAOYSA-N
SMILES ClC1=C(Cl)C(=CC=C1)N1CCN(CCCCOC2=CC=C3CCC(=O)NC3=C2)CC1
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): drug metabolite

H1-receptor antagonist
H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
serotonergic agonist
An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
Application(s): 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.
H1-receptor antagonist
H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
serotonergic agonist
An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
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ChEBI Ontology
Outgoing aripiprazole (CHEBI:31236) has role drug metabolite (CHEBI:49103)
aripiprazole (CHEBI:31236) has role H1-receptor antagonist (CHEBI:37955)
aripiprazole (CHEBI:31236) has role second generation antipsychotic (CHEBI:65191)
aripiprazole (CHEBI:31236) has role serotonergic agonist (CHEBI:35941)
aripiprazole (CHEBI:31236) is a δ-lactam (CHEBI:77727)
aripiprazole (CHEBI:31236) is a N-alkylpiperazine (CHEBI:46845)
aripiprazole (CHEBI:31236) is a N-arylpiperazine (CHEBI:46848)
aripiprazole (CHEBI:31236) is a aromatic ether (CHEBI:35618)
aripiprazole (CHEBI:31236) is a dichlorobenzene (CHEBI:23697)
aripiprazole (CHEBI:31236) is a quinolone (CHEBI:23765)
IUPAC Name
7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one
INNs Sources
aripiprazol WHO MedNet
aripiprazole WHO MedNet
aripiprazole WHO MedNet
aripiprazolum WHO MedNet
Synonyms Sources
7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butyloxy)-3,4-dihydro-2(1H)-quinolinone ChemIDplus
7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one PDBeChem
7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one ChEBI
OPC 14597 ChemIDplus
OPC 31 ChemIDplus
OPC-14597 ChemIDplus
OPC-31 ChemIDplus
Brand Names Sources
Abilify DrugBank
Abilify Discmelt ChemIDplus
Abilify Maintena ChemIDplus
Abilify MyCite ChemIDplus
Abilitat DrugBank
Arpizol DrugCentral
Asprito ChEBI
Discmelt ChemIDplus
Pripiprazole DrugCentral
Manual Xrefs Databases
242 DrugCentral
54790 ChemSpider
9SC PDBeChem
Aripiprazole Wikipedia
C12564 KEGG COMPOUND
D01164 KEGG DRUG
DB01238 DrugBank
EP367141 Patent
FDB004879 FooDB
HMDB0005042 HMDB
LSM-5776 LINCS
US5006528 Patent
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Registry Number Type Source
129722-12-9 CAS Registry Number ChemIDplus
Citations Types Sources
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Last Modified
05 January 2021