Aripiprazole
Aripiprazole Structure
Systematic / IUPAC Name: 7-{4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydro-1H-quinolin-2-one
ID: Reference2901
Other Names:
Abilify discmelt;
Abilitat;
2(1H)-Quinolinone, 7-{4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydro- ;
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
; more
Formula: C23H27Cl2N3O2
Class: Therapeutics/Prescription Drugs Endogenous Metabolites
Spectral Data
Aripiprazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 220 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | APCI |
| Analyzers | FT |
| Last Modification | 7/14/2015 6:08:56 AM |
Identificators
| 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) |
| InChI Key | CEUORZQYGODEFX-UHFFFAOYSA-N |
| Canonical SMILES | C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl |
| CAS | 129722129 |
| Splash | |
| Other Names |
Abilify discmelt; Abilitat; 2(1H)-Quinolinone, 7-{4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy}-3,4-dihydro- ; 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}-3,4-dihydroquinolin-2(1H)-one ; 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 ; 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; Aripiprazol |
In Other Databases
| Wikipedia | Aripiprazole |
| PubChem | 60795 |
| ChemSpider | 54790 |
| ChEBI | CHEBI:31236 |
| HMDb | HMDB05042 |
| DrugBank | DB01238 |
| ChemIDPlus | 129722129 |
| KEGG | C12564; D01164 |