Aripiprazole
PubChem CID: 60795
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| Compound Synonyms | Aripiprazole, 129722-12-9, Abilify, Abilitat, Abilify Discmelt, aripiprazol, OPC-14597, Discmelt, Aripiprex, Abilify MyCite, OPC 31, Abilify Maintena, Opc 14597, aripiprazolum, OPC-31, Abilify Maintena Kit, 7-(4-(4-(2,3-DICHLOROPHENYL)PIPERAZIN-1-YL)BUTOXY)-3,4-DIHYDROQUINOLIN-2(1H)-ONE, Abilify Digital, HSDB 7320, 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydrocarbostyril, AriprazoleImpurity, NSC-759266, UNII-82VFR53I78, 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, 2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-, DTXSID3046083, CHEBI:31236, 82VFR53I78, 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-2(1H)-quinolinone, 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone, 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butyloxy)-3,4-dihydro-2(1H)-quinolinone, ABILIFY MYCITE KIT, CHEMBL1112, 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril, 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one, DTXCID1026083, 129722-12-9 (free base), 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one, NSC 759266, NCGC00159510-02, Pripiprazole, Arpizol, Aripiprazole [USAN], 2(1H)-Quinolinone, 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-, 7-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butoxy}-3,4-dihydro-1H-quinol in-2-one, ARIPIPRAZOLE (MART.), ARIPIPRAZOLE [MART.], 1026778-41-5, ABILIFY ASIMTUFII, ARIPIPRAZOLE (USP-RS), ARIPIPRAZOLE [USP-RS], Asprito, ARIPIPRAZOLE (EP MONOGRAPH), ARIPIPRAZOLE [EP MONOGRAPH], ARIPIPRAZOLE (USP MONOGRAPH), ARIPIPRAZOLE [USP MONOGRAPH], 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, SMR000466383, Abilify (TN), CAS-129722-12-9, SR-01000759353, Aripiprazole [USAN:INN:BAN], 7-(4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy)-3,4-dihydrocarbostyril, 7-{4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydrocarbostyril, Abilify OD, 7-(4-(4-(2,3-bis(chloranyl)phenyl)piperazin-1-yl)butoxy)-3,4-dihydro-1H-quinolin-2-one, 7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-1,2,3,4-tetrahydroquinolin-2-one, 7-(4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy)-3,4-dihydroquinolin-2(1H)-one, Aripiprazole Depot, 9SC, BMS-337039, KS-1030, Aripiprazole (Abilify), CPD000466383, Aripiprazole (Standard), ARIPIPRAZOLE [MI], ARIPIPRAZOLE [INN], ARIPIPRAZOLE [JAN], GTPL34, ARIPIPRAZOLE [HSDB], Aripiprazole-d8(butyl-d8), SCHEMBL8255, ARIPIPRAZOLE [VANDF], MLS000759517, MLS001165779, MLS001195621, MLS001424078, MLS006011892, ARIPIPRAZOLE [WHO-DD], SCHEMBL5335696, ARIPIPRAZOLE [EMA EPAR], Aristada (aripiprazole lauroxil), SCHEMBL12961254, Aripiprazole (JP18/USP/INN), Aripiprazole - Bio-X trade mark, Aripiprazole orally disintegrating, N05AX12, ARIPIPRAZOLE [ORANGE BOOK], HMS2051I18, HMS2089M20, HMS2093F22, HMS2230M18, HMS3373D04, HMS3393I18, HMS3657K13, HMS3715J07, HMS3744A13, HMS3884E18, Pharmakon1600-01505851, BCP04902, PTB11506, Tox21_111728, Aripiprazole, 1mg/ml in Acetonitrile, BBL029082, BDBM50130293, DL-178, HY-14546R, MFCD00892072, NSC759266, s1975, STK625160, AKOS005558247, Tox21_111728_1, AB07660, AC-1554, BCP9000317, CCG-100891, CS-0766, DB01238, FA17978, NC00141, Aripiprazole 1.0 mg/ml in Acetonitrile, PS25 - Aripiprazole/Dehydroaripiprazole, NCGC00159510-03, NCGC00159510-04, NCGC00159510-05, BA164218, HY-14546, SY053146, SBI-0206870.P001, A2496, NS00001912, SW197521-3, D01164, EN300-119521, AB00639935-09, AB00639935_10, AB00639935_11, L001339, Q411188, SR-01000759353-4, SR-01000759353-6, BRD-K70358946-001-06-6, BRD-K70358946-001-14-0, BRD-K70358946-001-15-7, Z1521553846, 7-[4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy]-3,4-dihydro-2(1H)-quinolinone, 7-[4-[4-(2,3-Dichlorophenyl)-1-Piperazinyl]Butoxy]3,4-Dihydro-2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-quinolin-2(1H)-one, 7-{4-[-4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydrocarbostyril, 7-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butoxy}-3,4-dihydro-1H-quinolin-2-one, 7-{4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3, 4-dihydrocarbostyril, aripiprazole, 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril, 2(1H)-Quinolinone, 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro- List Acronyms, 24-29-3, 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone, 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]- 3,4-dihydrocarbostyril, Abilify |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | CEUORZQYGODEFX-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| State | Solid |
| Substituent Name | N-arylpiperazine, Phenylpiperazine, Quinolone, Tetrahydroquinolone, Tetrahydroquinoline, Dialkylarylamine, 1,2-dichlorobenzene, Aralkylamine, N-alkylpiperazine, Halobenzene, Chlorobenzene, Aniline, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Aryl halide, Aryl chloride, Tertiary aliphatic amine, Tertiary amine, Secondary carboxylic acid amide, Lactam, Carboxamide group, Azacycle, Ether, Carboxylic acid derivative, Carboxylic acid amide, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Organochloride, Organohalogen compound, Carbonyl group, Amine, Aromatic heteropolycyclic compound |
| Synonyms | Abilify, Abilitat, Aripiprazol, Aripiprazole, Aripiprazolum, Aripirazole, OPC 31, OPC-14597 |
| Heavy Atom Count | 30.0 |
| Compound Name | Aripiprazole |
| Kingdom | Organic compounds |
| Description | Aripiprazole is an atypical antipsychotic and antidepressant used in the treatment of schizophrenia, bipolar disorder, and clinical depression. OPC is found in chinese cinnamon. |
| Exact Mass | 447.148 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 447.148 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 559.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 448.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Enzyme Uniprot Id | P08913, P18089, P14416, P34969, P28222, P21917, P08908, P50406, P35367, P46098, P28221 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Diazinanes |
| 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) |
| Smiles | C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl |
| Xlogp | 4.6 |
| Superclass | Organoheterocyclic compounds |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Piperazines |
| Molecular Formula | C23H27Cl2N3O2 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:fooddb_chem_all