1.02010-04-08 22:06:26 UTC2019-11-26 03:00:17 UTCFDB004879OPCAripiprazole is an atypical antipsychotic and antidepressant used in the treatment of schizophrenia, bipolar disorder, and clinical depression. OPC is found in chinese cinnamon.AbilifyAbilitatAripiprazolAripiprazoleAripiprazolumAripirazoleOPC 31OPC-14597C23H27Cl2N3O2448.385447.1480325377-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-onearipiprazole129722-12-9ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1ClInChI=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)CEUORZQYGODEFX-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpiperazines. Phenylpiperazines are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.PhenylpiperazinesOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazinesAromatic heteropolycyclic compoundsAlkyl aryl ethersAmino acids and derivativesAniline and substituted anilinesAryl chloridesAzacyclic compoundsCarbonyl compoundsDialkylarylaminesDichlorobenzenesHydrocarbon derivativesHydroquinolinesHydroquinolonesLactamsN-alkylpiperazinesN-arylpiperazinesOrganic oxidesOrganochloridesOrganopnictogen compoundsSecondary carboxylic acid amidesTrialkylamines1,2-dichlorobenzeneAlkyl aryl etherAmineAmino acid or derivativesAniline or substituted anilinesAromatic heteropolycyclic compoundAryl chlorideAryl halideAzacycleBenzenoidCarbonyl groupCarboxamide groupCarboxylic acid derivativeChlorobenzeneDialkylarylamineEtherHalobenzeneHydrocarbon derivativeLactamMonocyclic benzene moietyN-alkylpiperazineN-arylpiperazineOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganochlorideOrganohalogen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPhenylpiperazineQuinoloneSecondary carboxylic acid amideTertiary aliphatic amineTertiary aliphatic/aromatic amineTertiary amineTetrahydroquinolineTetrahydroquinoloneN-alkylpiperazineN-arylpiperazinedichlorobenzenequinoloneSolidlogp5.21logs-4.76solubility7.77e-03 g/lmelting_point139-139.5 oClogp4.9pka_strongest_acidic13.51pka_strongest_basic7.46iupac7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-oneaverage_mass448.385mono_mass447.148032537smilesClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1ClformulaC23H27Cl2N3O2inchiInChI=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)inchikeyCEUORZQYGODEFX-UHFFFAOYSA-Npolar_surface_area44.81refractivity124.34polarizability49.23rotatable_bond_count7acceptor_count4donor_count1physiological_charge1formal_charge0Specdb::CMs20212Specdb::CMs164956Specdb::MsMs108261Specdb::MsMs108262Specdb::MsMs108263Specdb::MsMs175443Specdb::MsMs175444Specdb::MsMs175445Specdb::MsMs374973Specdb::MsMs451026Specdb::MsMs451766Specdb::MsMs2246610Specdb::MsMs2247692Specdb::MsMs2729041Specdb::MsMs2729042Specdb::MsMs2729043Specdb::MsMs2979803Specdb::MsMs2979804Specdb::MsMs2979805HMDB0504231236Chinese cinnamonType 1specificCinnamomum aromaticum1192605-hydroxytryptamine receptor 1AP08908HTR1A5-hydroxytryptamine receptor 1BP28222HTR1B5-hydroxytryptamine receptor 1DP28221HTR1D5-hydroxytryptamine receptor 3AP46098HTR3A5-hydroxytryptamine receptor 6P50406HTR65-hydroxytryptamine receptor 7P34969HTR7Alpha-2A adrenergic receptorP08913ADRA2AAlpha-2B adrenergic receptorP18089ADRA2BD(2) dopamine receptorP14416DRD2D(4) dopamine receptorP21917DRD4Histamine H1 receptorP35367HRH1anti allergic103A drug used to treat allergic reactions.anti anaphylactic111Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti asthmatic134A drug used to treat asthma.anti atherogenic136A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.anti bacterial145A substance that kills or slows the growth of bacteria.anti edemic248anti erythemic268A drug used to treat or prevent skin disorders or for the routine care of skin.anti exudative273anti gastritic292anti histaminic331Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.anti HIV333A substance that destroys or inhibits replication of viruses.anti inflammatory370A substance that reduces or suppresses inflammation.anti obesity486Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti radicular572anti viral689A substance that destroys or inhibits replication of viruses.antibiotic147A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.antioxidant502A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.cancer preventive754A substance that inhibits or prevents the proliferation of neoplasms.capillaritonic761hyaluronidase inhibitor998A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.immunomodulator1031Biologically active substance whose activity affects or plays a role in the functioning of the immune system.lipolytic1074pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.sunscreen1337Any substance introduced into a living organism with therapeutic or diagnostic purpose.xanthine oxidase inhibitor1431An EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor that interferes with the action of xanthine oxidase (EC 1.17.3.2).