| SpectraBase Spectrum ID |
LD3rHdVnb8z |
| Name |
Aripiprazole |
| CAS Registry Number |
129722-12-9 |
| Classification |
Neuroleptic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
447.148032519 u |
| Formula |
C23H27N3O2Cl2 |
| 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 |
| SMILES |
c1(Cl)c(Cl)c(N2CCN(CCCCOc3ccc4c(c3)NC(CC4)=O)CC2)ccc1 |
| SPLASH |
splash10-0007-3390000000-f3f68bea2ec3c730739f |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_7261 |
