Dataset

Edoxaban

This MassBank record with Accession MSBNK-Eawag-EQ01100902 contains the MS2 mass spectrum of Edoxaban with the InChIkey HGVDHZBSSITLCT-UHFFFAOYSA-N.

Chemical Info

molecular Image
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

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01100902
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:56:53.022961
MetadataModified 2025-02-09T09:56:53.232096
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0251704 Human Metabolome Database
PD023164 ProbesDrugs
124343720 PubChem: Thomson Pharma
SCHEMBL1504007 SureChEMBL
11635624 PubChem
The data in this table is sourced from UniChem at EBI.