Dataset

Dronedarone

This MassBank record with Accession MSBNK-Eawag-EA285507 contains the MS2 mass spectrum of Dronedarone with the InChIkey ZQTNQVWKHCQYLQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3
SMILES CS(=O)(=O)Nc1cc2c(c(oc2cc1)CCCC)C(c1ccc(cc1)OCCCN(CCCC)CCCC)=O
InChI Key ZQTNQVWKHCQYLQ-UHFFFAOYSA-N
Molecular Formula C31H44N2O5S
Exact Mass 556.297 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA285507
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:36:19.232894
MetadataModified 2025-02-09T09:19:23.594889
MetadataPublished 2014-01-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB11117179 ChemicalBook
dronedarone DailyMed
LSM-45428 LINCS
ZINC000049933061 ZINC
MCULE-5052395136 Mcule
SCHEMBL110363 SureChEMBL
DB04855 DrugBank
PD009359 ProbesDrugs
JQZ1L091Y2 FDA SRS
14861729 PubChem: Thomson Pharma
141626-36-0 ACToR
208898 PubChem
30152747 eMolecules
50659 ChEBI
DRONEDARONE rxnorm
MULTAQ rxnorm
MULTAQ clinicaltrials
HY-A0016 MedChemExpress
SR33589 clinicaltrials
SR-33589 clinicaltrials
DRONEDARONE clinicaltrials
DTXSID3048653 EPA CompTox Dashboard
4112 DrugCentral
7465 Guide to Pharmacology
J1.055.653H Nikkaji
HMDB0251621 Human Metabolome Database
50151864 BindingDB
DRONEDARONE DailyMed
DRONEDARONE HYDROCHLORIDE rxnorm
CHEMBL184412 ChEMBL
The data in this table is sourced from UniChem at EBI.