Tianeptine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000311
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000311 contains the MS mass spectrum of Tianeptine with the InChIkey JICJBGPOMZQUBB-UHFFFAOYSA-N.
Source: Tianeptine
Chemical Info
| 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) |
|---|---|
| SMILES | OC(=O)CCCCCCNC(c21)c(c3)c(cc(Cl)c3)S(=O)(=O)N(C)c(cccc2)1 |
| InChI Key | JICJBGPOMZQUBB-UHFFFAOYSA-N |
| Molecular Formula | C21H25ClN2O4S |
| Exact Mass | 436.122 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 87a6c985-ad82-4ba3-90eb-254bff3809c9 |
| Package id | msbnk-waters-wa000311 |
| Resource type | HTML |
| State | active |