| SpectraBase Spectrum ID |
9NnA004UBN3 |
| Name |
Clozapine-M (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 |
426.145868314 u |
| Formula |
C22H23ClN4O3 |
| InChI |
InChI=1S/C22H23ClN4O3/c1-14(28)27-20-7-4-16(23)12-19(20)24-22(26-10-8-25(3)9-11-26)18-6-5-17(13-21(18)27)30-15(2)29/h4-7,12-13H,8-11H2,1-3H3 |
| InChIKey |
PBGGZHNVCJCIOS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
426.904 g/mol |
| SMILES |
c12C(=Nc3cc(Cl)ccc3N(c2cc(cc1)OC(C)=O)C(C)=O)N1CCN(CC1)C |
| SPLASH |
splash10-05ai-7039100000-0afdc18508caf9feff12 |
| 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_2606 |
