| SpectraBase Spectrum ID |
2kQmcotOoLo |
| Name |
Tianeptine TMS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
508.161882956 u |
| Formula |
C24H33ClN2O4SSi |
| InChI |
InChI=1S/C24H33ClN2O4SSi/c1-27-21-12-9-8-11-19(21)24(20-15-14-18(25)17-22(20)32(27,29)30)26-16-10-6-5-7-13-23(28)31-33(2,3)4/h8-9,11-12,14-15,17,24,26H,5-7,10,13,16H2,1-4H3 |
| InChIKey |
WJNJORSGKNXASV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
509.136 g/mol |
| Nominal Mass |
508 u |
| Quality |
1000 |
| Retention Index |
3718 |
| SMILES |
C1=2S(N(C=3C(C(C2C=CC(=C1)Cl)NCCCCCCC(O[Si](C)(C)C)=O)=CC=CC3)C)(=O)=O |
| SPLASH |
splash10-0006-0290000000-1036bfbb1ab0e2bb6115 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Tianeptin TMS
Trimethylsilyl 7-((3-Chloro-6-methyl-5,5-dioxo-6,11-dihydro-5H-56-dibenzo[c,f][1,2]thiazepin-11-\ryl)amino)heptanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022554 |
