Aripiprazole
CAS Number: 129722-12-9
Molecular Mass: 448.4 g/mol
Formula: C23H27Cl2N3O2
Smiles: O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1
Synonymes:
Aripiprazole, 129722-12-9, Abilify, Abilitat, OPC-14597, Abilify Discmelt, aripiprazol, Discmelt, Opc 14597, Aripiprex, Abilify MyCite, OPC 31, OPC-31, Abilify Maintena, aripiprazolum, 7-(4-(4-(2,3-DICHLOROPHENYL)PIPERAZIN-1-YL)BUTOXY)-3,4-DIHYDROQUINOLIN-2(1H)-ONE, 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone, Abilify Maintena Kit, 2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-, NSC-759266, DTXSID3046083, 82VFR53I78, 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, 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one, ABILIFY MYCITE KIT, 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one, DTXCID1026083, CHEBI:31236, 2(1H)-Quinolinone, 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-, ABILIFY ASIMTUFII, Aripiprazole oral, 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, OPIPZA, RefChem:5563, Aripiprazole orally disintegrating, N05AX12, 603-355-5, C23H27Cl2N3O2, 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, AriprazoleImpurity, 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydrocarbostyril, CHEMBL1112, 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril, MFCD00892072, NCGC00159510-02, Aripiprazole [USAN], 1026778-41-5, 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, HSDB 7320, SR-01000759353, UNII-82VFR53I78, Abilify Digital, 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, Aripiprazole CRS, Aripiprazole Depot, 9SC, 129722-12-9 (free base), MEZOFY, BMS-337039, KS-1030, Aripiprazole (Abilify), CPD000466383, Aripiprazole (Standard), ARIPIPRAZOLE [MI], ARIPIPRAZOLE [INN], ARIPIPRAZOLE [JAN], GTPL34, ARIPIPRAZOLE [HSDB], SCHEMBL8255, Aripiprazole Crystal Form I, ARIPIPRAZOLE [VANDF], ARIPIPRAZOLE [MART.], MLS000759517, MLS001165779, MLS001195621, MLS001424078, MLS006011892, ARIPIPRAZOLE [USP-RS], ARIPIPRAZOLE [WHO-DD], orb1308154, orb3012994, orb3141214, ARIPIPRAZOLE [EMA EPAR], Aristada (aripiprazole lauroxil), SCHEMBL12961254, SCHEMBL29356997, SCHEMBL29438823, SCHEMBL29475637, SCHEMBL29475638, Aripiprazole (JP18/USP/INN), Aripiprazole - Bio-X trade mark, ARIPIPRAZOLE [ORANGE BOOK], GLXC-06844, HMS2051I18, HMS2089M20, HMS2093F22, HMS2230M18, HMS3373D04, HMS3393I18, HMS3657K13, HMS3715J07, HMS3744A13, HMS3884E18, HMS5080H11, Pharmakon1600-01505851, ARIPIPRAZOLE [EP MONOGRAPH], MSK10169, PTB11506, ARIPIPRAZOLE [USP MONOGRAPH], Tox21_111728, Aripiprazole, 1mg/ml in Acetonitrile, BBL029082, BDBM50130293, DL-178, EBC-12081, HY-14546R, NSC759266, s1975, STK625160, AKOS005558247, Tox21_111728_1, AB07660, AC-1554, CCG-100891, CS-0766, DB01238, FA17978, NC00141, NSC 759266, 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-quinol in-2-one, 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, 24-29-3
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Propanol | 278.15 | - | 0.0891 | [443] |
| 1-Propanol | 283.15 | - | 0.1166 | [443] |
| 1-Propanol | 288.15 | - | 0.1547 | [443] |
| 1-Propanol | 293.15 | - | 0.1964 | [443] |
| 1-Propanol | 298.15 | - | 0.246 | [443] |
| 1-Propanol | 303.15 | - | 0.3189 | [443] |
| 1-Propanol | 308.15 | - | 0.3972 | [443] |
| 1-Propanol | 313.15 | - | 0.489 | [443] |
| 1-Propanol | 318.15 | - | 0.6038 | [443] |
| Acetone | 278.15 | - | 0.1227 | [443] |
| Acetone | 283.15 | - | 0.1687 | [443] |
| Acetone | 288.15 | - | 0.2211 | [443] |
| Acetone | 293.15 | - | 0.2871 | [443] |
| Acetone | 298.15 | - | 0.3601 | [443] |
| Acetone | 303.15 | - | 0.4401 | [443] |
| Acetone | 308.15 | - | 0.533 | [443] |
| Acetone | 313.15 | - | 0.6507 | [443] |
| Acetone | 318.15 | - | 0.7913 | [443] |
| Isopropanol | 278.15 | - | 0.0377 | [443] |
| Isopropanol | 283.15 | - | 0.054 | [443] |
| Isopropanol | 288.15 | - | 0.0722 | [443] |
| Isopropanol | 293.15 | - | 0.0987 | [443] |
| Isopropanol | 298.15 | - | 0.1313 | [443] |
| Isopropanol | 303.15 | - | 0.1706 | [443] |
| Isopropanol | 308.15 | - | 0.2241 | [443] |
| Isopropanol | 313.15 | - | 0.2894 | [443] |
| Isopropanol | 318.15 | - | 0.3634 | [443] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1047.8614 |
| PMI2 | 16621.1157 |
| PMI3 | 17177.1460 |
| NPR1 | 0.0610 |
| NPR2 | 0.9676 |
| RadiusOfGyration | 6.2335 |
| InertialShapeFactor | 0.0009 |
| Eccentricity | 0.9981 |
| Asphericity | 0.8285 |
| SpherocityIndex | 0.0857 |
| PBF | 0.7864 |