| SpectraBase Spectrum ID |
8NYXtZM2BXv |
| Name |
Agomelatine-M (HO-aryl-) AC |
| Classification |
Antidepressant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
301.131408092 u |
| Formula |
C17H19NO4 |
| InChI |
InChI=1S/C17H19NO4/c1-11(19)18-9-8-13-4-7-17(22-12(2)20)15-6-5-14(21-3)10-16(13)15/h4-7,10H,8-9H2,1-3H3,(H,18,19) |
| InChIKey |
ZVQARYMNTKONPP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
301.342 g/mol |
| SMILES |
c1(cc2c(cc1)c(ccc2CCNC(C)=O)OC(C)=O)OC |
| SPLASH |
splash10-0udi-1970000000-7470c773a4c3d85c350b |
| 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_8494 |
