1.0 2010-04-08 22:06:26 UTC 2019-11-26 03:00:17 UTC FDB004879 OPC Aripiprazole is an atypical antipsychotic and antidepressant used in the treatment of schizophrenia, bipolar disorder, and clinical depression. OPC is found in chinese cinnamon. Abilify Abilitat Aripiprazol Aripiprazole Aripiprazolum Aripirazole OPC 31 OPC-14597 C23H27Cl2N3O2 448.385 447.148032537 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one aripiprazole 129722-12-9 ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl 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) 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. Phenylpiperazines Organic compounds Organoheterocyclic compounds Diazinanes Piperazines Aromatic heteropolycyclic compounds Alkyl aryl ethers Amino acids and derivatives Aniline and substituted anilines Aryl chlorides Azacyclic compounds Carbonyl compounds Dialkylarylamines Dichlorobenzenes Hydrocarbon derivatives Hydroquinolines Hydroquinolones Lactams N-alkylpiperazines N-arylpiperazines Organic oxides Organochlorides Organopnictogen compounds Secondary carboxylic acid amides Trialkylamines 1,2-dichlorobenzene Alkyl aryl ether Amine Amino acid or derivatives Aniline or substituted anilines Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Chlorobenzene Dialkylarylamine Ether Halobenzene Hydrocarbon derivative Lactam Monocyclic benzene moiety N-alkylpiperazine N-arylpiperazine Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylpiperazine Quinolone Secondary carboxylic acid amide Tertiary aliphatic amine Tertiary aliphatic/aromatic amine Tertiary amine Tetrahydroquinoline Tetrahydroquinolone N-alkylpiperazine N-arylpiperazine dichlorobenzene quinolone Solid logp 5.21 ALOGPS logs -4.76 ALOGPS solubility 7.77e-03 g/l ALOGPS melting_point 139-139.5 oC logp 4.9 ChemAxon pka_strongest_acidic 13.51 ChemAxon pka_strongest_basic 7.46 ChemAxon iupac 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one ChemAxon average_mass 448.385 ChemAxon mono_mass 447.148032537 ChemAxon smiles ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl ChemAxon formula C23H27Cl2N3O2 ChemAxon 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) ChemAxon inchikey CEUORZQYGODEFX-UHFFFAOYSA-N ChemAxon polar_surface_area 44.81 ChemAxon refractivity 124.34 ChemAxon polarizability 49.23 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20212 Specdb::CMs 164956 Specdb::MsMs 108261 Specdb::MsMs 108262 Specdb::MsMs 108263 Specdb::MsMs 175443 Specdb::MsMs 175444 Specdb::MsMs 175445 Specdb::MsMs 374973 Specdb::MsMs 451026 Specdb::MsMs 451766 Specdb::MsMs 2246610 Specdb::MsMs 2247692 Specdb::MsMs 2729041 Specdb::MsMs 2729042 Specdb::MsMs 2729043 Specdb::MsMs 2979803 Specdb::MsMs 2979804 Specdb::MsMs 2979805 HMDB05042 31236 Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 5-hydroxytryptamine receptor 1A P08908 HTR1A 5-hydroxytryptamine receptor 1B P28222 HTR1B 5-hydroxytryptamine receptor 1D P28221 HTR1D 5-hydroxytryptamine receptor 3A P46098 HTR3A 5-hydroxytryptamine receptor 6 P50406 HTR6 5-hydroxytryptamine receptor 7 P34969 HTR7 Alpha-2A adrenergic receptor P08913 ADRA2A Alpha-2B adrenergic receptor P18089 ADRA2B D(2) dopamine receptor P14416 DRD2 D(4) dopamine receptor P21917 DRD4 Histamine H1 receptor P35367 HRH1 Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti erythemic 268 A drug used to treat or prevent skin disorders or for the routine care of skin. Anti exudative 273 Anti histaminic 331 Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Anti HIV 333 A substance that destroys or inhibits replication of viruses. Anti radicular 572 Anti-allergic 103 A drug used to treat allergic reactions. Anti-anaphylactic 111 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-asthmatic 134 A drug used to treat asthma. Anti-atherogenic 136 A 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-edemic 248 Anti-gastritic 292 Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-obesity 486 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-oxidant 502 A 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. Anti-viral 689 A substance that destroys or inhibits replication of viruses. Antibiotic 147 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. Capillaritonic 761 Hyaluronidase inhibitor 998 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. Immunomodulator 1031 Biologically active substance whose activity affects or plays a role in the functioning of the immune system. Lipolytic 1074 Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Sunscreen 1337 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Xanthine oxidase inhibitor 1431 An 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).