| SpectraBase Spectrum ID |
5CNZdYryLY |
| Name |
Aripiprazole-M (N-dealkyl-HO-) 2AC |
| Classification |
Neuroleptic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
330.053797780 u |
| Formula |
C14H16N2O3Cl2 |
| InChI |
InChI=1S/C14H16Cl2N2O3/c1-9(19)17-3-5-18(6-4-17)13-8-11(21-10(2)20)7-12(15)14(13)16/h7-8H,3-6H2,1-2H3 |
| InChIKey |
ZWBJWSDXXRIZID-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
331.199 g/mol |
| SMILES |
c1(c(c(N2CCN(CC2)C(C)=O)cc(c1)OC(=O)C)Cl)Cl |
| SPLASH |
splash10-0ldi-1290000000-022dfb0ac8a720a47eef |
| 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. |
| Sample Preparation Procedure |
Detected: U+UHYAC |
| 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_7884 |
