| SpectraBase Spectrum ID |
GUAoo3JimQ4 |
| Name |
Aripiprazole |
| CAS Registry Number |
129722-12-9 |
| Classification |
Pharmaceutical drug, antipsychotic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
447.148032519 u |
| Formula |
C23H27Cl2N3O2 |
| 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) |
| InChIKey |
CEUORZQYGODEFX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
448.394 g/mol |
| Nominal Mass |
447 u |
| Quality |
937 |
| SMILES |
C1=2C(=CC=C(C2)OCCCCN2CCN(C=3C(=C(C=CC3)Cl)Cl)CC2)CCC(N1)=O |
| SPLASH |
splash10-022l-9760000000-4ba9d962b8ff50e716ae |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Abilify
Abilitat
7-(4-[-(2,3-Dichlorphenyl)piperazin-1-yl]butoxy)-3,4-dihydrochinolin-2(1H)-one |
| Technique |
DI/MS |
| Wiley ID |
DD2024_009202 |
