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CHEBI:90930 - aripiprazole lauroxil
| Formula | C36H51Cl2N3O4 |
| Net Charge | 0 |
| Average Mass | 660.727 |
| Monoisotopic Mass | 659.32566 |
| SMILES | CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21 |
| InChI | InChI=1S/C36H51Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-16-35(43)45-28-41-33-27-30(19-17-29(33)18-20-34(41)42)44-26-12-11-21-39-22-24-40(25-23-39)32-15-13-14-31(37)36(32)38/h13-15,17,19,27H,2-12,16,18,20-26,28H2,1H3 |
| InChIKey | DDINXHAORAAYAD-UHFFFAOYSA-N |
| Roles Classification |
|---|
| 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. 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. prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| aripiprazole lauroxil (CHEBI:90930) has role H1-receptor antagonist (CHEBI:37955) |
| aripiprazole lauroxil (CHEBI:90930) has role prodrug (CHEBI:50266) |
| aripiprazole lauroxil (CHEBI:90930) has role second generation antipsychotic (CHEBI:65191) |
| aripiprazole lauroxil (CHEBI:90930) has role serotonergic agonist (CHEBI:35941) |
| aripiprazole lauroxil (CHEBI:90930) is a N-alkylpiperazine (CHEBI:46845) |
| aripiprazole lauroxil (CHEBI:90930) is a N-arylpiperazine (CHEBI:46848) |
| aripiprazole lauroxil (CHEBI:90930) is a aromatic ether (CHEBI:35618) |
| aripiprazole lauroxil (CHEBI:90930) is a dichlorobenzene (CHEBI:23697) |
| aripiprazole lauroxil (CHEBI:90930) is a dodecanoate ester (CHEBI:87659) |
| aripiprazole lauroxil (CHEBI:90930) is a quinolone (CHEBI:23765) |
| aripiprazole lauroxil (CHEBI:90930) is a δ-lactam (CHEBI:77727) |
| IUPAC Name |
|---|
| [7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-2-oxo-3,4-dihydroquinolin-1(2H)-yl]methyl dodecanoate |
| Synonyms | Source |
|---|---|
| Dodecanoic acid, (7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-2-oxo-1(2H)-quinolinyl)methyl ester | ChemIDplus |
| ALKS 9070 | ChemIDplus |
| ALKS 9072 | ChemIDplus |
| RDC-3317 | ChemIDplus |
| RDC 3317 | ChemIDplus |
| Brand Name | Source |
|---|---|
| Aristada | KEGG DRUG |
| Registry Numbers | Sources |
|---|---|
| Reaxys:22857747 | Reaxys |
| CAS:1259305-29-7 | KEGG DRUG |
| CAS:1259305-29-7 | ChemIDplus |
| Citations |
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