| SpectraBase Spectrum ID |
B4I3cTAgFCi |
| Name |
Clozapine |
| CAS Registry Number |
5786-21-0 |
| Classification |
Pharmaceutical drug, antipsychotic |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
326.129824328 u |
| Formula |
C18H19ClN4 |
| InChI |
InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 |
| InChIKey |
QZUDBNBUXVUHMW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
326.831 g/mol |
| Nominal Mass |
326 u |
| Quality |
966 |
| Retention Index |
2967 |
| SMILES |
C=12C(N3CCN(CC3)C)=NC=3C(NC1C=CC=C2)=CC=C(C3)Cl |
| SPLASH |
splash10-052f-1290000000-f2118f5b07113ee167d5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
8-Chloro-11-(4-methylpiperazine-1-yl)-5H-dibenzo[b,e]-[1,4]diazepine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030840 |
