Febuxostat
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01100257
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01100257 contains the MS2 mass spectrum of Febuxostat with the InChIkey BQSJTQLCZDPROO-UHFFFAOYSA-N.
Source: Febuxostat
Chemical Info
| InChI | InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20) |
|---|---|
| SMILES | CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O |
| InChI Key | BQSJTQLCZDPROO-UHFFFAOYSA-N |
| Molecular Formula | C16H16N2O3S |
| Exact Mass | 316.088 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 | 27ab0eaf-44e7-4955-9e35-9634b21dd084 |
| Package id | msbnk-eawag-eq01100257 |
| Resource type | HTML |
| State | active |