| SpectraBase Compound ID | 4azZalZDjRL |
|---|---|
| InChI | InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/p-1 |
| InChIKey | JICJBGPOMZQUBB-UHFFFAOYSA-M |
| Mol Weight | 435.95 g/mol |
| Molecular Formula | C21H24ClN2O4S |
| Exact Mass | 435.114531 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1M5BY8sUfKF |
|---|---|
| Name | Tianeptine |
| Catalog Number | 17561 |
| CAS Registry Number | 30123-17-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24ClN2O4S |
| InChI | InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/p-1 |
| InChIKey | JICJBGPOMZQUBB-UHFFFAOYSA-M |
| Molecular Weight | 435.946 g/mol |
| SMILES | N(C1c2c(N(S(c3c1ccc(c3)Cl)(=O)=O)C)cccc2)CCCCCCC([O-])=O |
| SPLASH | splash10-0006-3591000000-d3c465bd96c9d9031728 |
| Source of Spectrum | CAY-2023-525-0 |
| Wiley ID | 1888486 |