Torasemidecarboxylic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01142851
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01142851 contains the MS2 mass spectrum of Torasemidecarboxylic acid with the InChIkey PGPRBNDLCZQUST-UHFFFAOYSA-N.
Source: Torasemidecarboxylic acid
Chemical Info
| InChI | InChI=1S/C16H18N4O5S/c1-10(2)18-16(23)20-26(24,25)14-9-17-7-6-13(14)19-12-5-3-4-11(8-12)15(21)22/h3-10H,1-2H3,(H,17,19)(H,21,22)(H2,18,20,23) |
|---|---|
| SMILES | CC(C)NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C(=O)O |
| InChI Key | PGPRBNDLCZQUST-UHFFFAOYSA-N |
| Molecular Formula | C16H18N4O5S |
| Exact Mass | 378.100 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 9, 2025 |
| Metadata last updated | February 9, 2025 |
| Created | February 9, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 6fd0d08f-a00c-4546-bcd0-caf9b4229690 |
| Package id | msbnk-eawag-eq01142851 |
| Resource type | HTML |
| State | active |