| SpectraBase Spectrum ID |
1gUkWDkYrFh |
| Name |
Quetiapine-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 |
395.130362719 u |
| Formula |
C21H21N3O3S |
| InChI |
InChI=1S/C21H21N3O3S/c1-14(25)23-9-11-24(12-10-23)21-17-8-7-16(27-15(2)26)13-20(17)28-19-6-4-3-5-18(19)22-21/h3-8,13H,9-12H2,1-2H3 |
| InChIKey |
LTOUULMZIHTVAK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
395.477 g/mol |
| SMILES |
CC(Oc1ccc2C(N3CCN(CC3)C(C)=O)=Nc3ccccc3Sc2c1)=O |
| SPLASH |
splash10-05r1-2393000000-1845a0b9bae98e2a3ab9 |
| 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_6435 |
