| SpectraBase Spectrum ID |
ZCuGL1QmyK |
| Name |
Agomelatine-M (HO-aryl-) 2AC |
| Classification |
Antidepressant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
343.141972775 u |
| Formula |
C19H21NO5 |
| InChI |
InChI=1S/C19H21NO5/c1-12(21)20(13(2)22)9-8-15-6-5-7-17-18(15)10-16(24-4)11-19(17)25-14(3)23/h5-7,10-11H,8-9H2,1-4H3 |
| InChIKey |
KBMRVVVQQSYTPL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
343.379 g/mol |
| SMILES |
c1(cc2c(c(OC(C)=O)c1)cccc2CCN(C(=O)C)C(C)=O)OC |
| SPLASH |
splash10-0udi-1981000000-0f39672bb83282fbc628 |
| 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_8497 |
