Edoxaban
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01100952
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01100952 contains the MS2 mass spectrum of Edoxaban with the InChIkey HGVDHZBSSITLCT-UHFFFAOYSA-N.
Source: Edoxaban
Chemical Info
| InChI | InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34) |
|---|---|
| SMILES | CN1CCC2=C(C1)SC(=N2)C(=O)NC3CC(CCC3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C |
| InChI Key | HGVDHZBSSITLCT-UHFFFAOYSA-N |
| Molecular Formula | C24H30ClN7O4S |
| Exact Mass | 547.177 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 | 4d9aca58-a466-4bea-8503-cc3c2ca0ebf6 |
| Package id | msbnk-eawag-eq01100952 |
| Resource type | HTML |
| State | active |