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CHEBI:31236 - aripiprazole
| Formula | C23H27Cl2N3O2 |
| Net Charge | 0 |
| Average Mass | 448.394 |
| Monoisotopic Mass | 447.14803 |
| SMILES | O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1 |
| 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 |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | 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. 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. |
| Applications: | 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. 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. 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 |
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| Outgoing Relation(s) |
| 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 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) |
| aripiprazole (CHEBI:31236) is a δ-lactam (CHEBI:77727) |
| IUPAC Name |
|---|
| 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one |
| INNs | Source |
|---|---|
| aripiprazol | WHO MedNet |
| aripiprazole | WHO MedNet |
| aripiprazole | WHO MedNet |
| aripiprazolum | WHO MedNet |
| Synonyms | Source |
|---|---|
| 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)-1-piperazinyl)butyloxy)-3,4-dihydro-2(1H)-quinolinone | ChemIDplus |
| 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one | ChEBI |
| OPC 14597 | ChemIDplus |
| OPC-14597 | ChemIDplus |
| OPC 31 | ChemIDplus |
| Brand Names | Source |
|---|---|
| Abilify | DrugBank |
| Abilify Discmelt | ChemIDplus |
| Abilify Maintena | ChemIDplus |
| Abilify MyCite | ChemIDplus |
| Abilitat | DrugBank |
| Arpizol | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| CAS:129722-12-9 | KEGG COMPOUND |
| CAS:129722-12-9 | ChemIDplus |
| Citations |
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