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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
Heavy Atom Count 30.0
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.
Isotope Atom Count 0.0
Molecular Complexity 559.0
Database Name fooddb_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Enzyme Uniprot Id P08913, P18089, P14416, P34969, P28222, P21917, P08908, P50406, P35367, P46098, P28221
Iupac Name 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Nih Violation False
Class Diazinanes
Xlogp 4.6
Superclass Organoheterocyclic compounds
Is Pains False
Subclass Piperazines
Molecular Formula C23H27Cl2N3O2
Inchi Key CEUORZQYGODEFX-UHFFFAOYSA-N
Rotatable Bond Count 7.0
State Solid
Synonyms Abilify, Abilitat, Aripiprazol, Aripiprazole, Aripiprazolum, Aripirazole, OPC 31, OPC-14597
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
Compound Name Aripiprazole
Kingdom Organic compounds
Exact Mass 447.148
Formal Charge 0.0
Brenk Violation True
Monoisotopic Mass 447.148
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 448.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
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
Defined Bond Stereocenter Count 0.0

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