| SpectraBase Spectrum ID |
5Z6eIy2xbXc |
| Name |
Clozapine-M (7 OH) 2AC |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
426.145868314 u |
| Formula |
C22H23ClN4O3 |
| InChI |
InChI=1S/C22H23ClN4O3/c1-14(28)27-19-7-5-4-6-16(19)22(26-10-8-25(3)9-11-26)24-18-12-17(23)21(13-20(18)27)30-15(2)29/h4-7,12-13H,8-11H2,1-3H3 |
| InChIKey |
HPPNENOUPYLOPY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
426.904 g/mol |
| Nominal Mass |
426 u |
| Quality |
823 |
| Retention Index |
3415 |
| SMILES |
C=12N(C3=C(C(=NC2=CC(=C(C1)OC(=O)C)Cl)N1CCN(CC1)C)C=CC=C3)C(=O)C |
| SPLASH |
splash10-0a7i-4039100000-1b8e7584add99cfd4813 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7-Hydroxy-clozapine 2AC
5-acetyl-8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-7-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000782 |
