| SpectraBase Spectrum ID |
ISLty9HYlUO |
| Name |
Agomelatine-M isomer-2 2AC |
| Classification |
Antidepressant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
359.136887394 u |
| Formula |
C19H21NO6 |
| InChI |
InChI=1S/C19H21NO6/c1-11(21)20-6-5-14-7-16(25-12(2)22)8-15-9-19(26-13(3)23)18(24-4)10-17(14)15/h7-10H,5-6H2,1-4H3,(H,20,21) |
| InChIKey |
NLJIDMUDZIHFRO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
359.378 g/mol |
| SMILES |
c1(cc2c(cc1OC(C)=O)cc(cc2CCNC(=O)C)OC(C)=O)OC |
| SPLASH |
splash10-014i-1693000000-b937d9146f3d9628fb0f |
| 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 |
| Synonyms |
Agomelatine-M (di-HO-aryl-) isomer-2 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8500 |
