| SpectraBase Spectrum ID |
BJrU2lu9pCT |
| Name |
Clotiapine-M (HO-) AC |
| Classification |
Neuroleptic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
401.096475768 u |
| Formula |
C20H20ClN3O2S |
| InChI |
InChI=1S/C20H20ClN3O2S/c1-13(25)26-15-4-5-17-19(12-15)27-18-6-3-14(21)11-16(18)20(22-17)24-9-7-23(2)8-10-24/h3-6,11-12H,7-10H2,1-2H3 |
| InChIKey |
PKDUJXAHINXVPC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
401.912 g/mol |
| SMILES |
c1(cc2c(N=C(N3CCN(CC3)C)c3c(S2)ccc(c3)Cl)cc1)OC(C)=O |
| SPLASH |
splash10-01q9-4069000000-0efdc9bec5ce8777ac03 |
| 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: 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_2375 |
