Dataset

Desethylamiodarone

This MassBank record with Accession MSBNK-Waters-WA002805 contains the MS mass spectrum of Desethylamiodarone with the InChIkey VXOKDLACQICQFA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H25I2NO3/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3
SMILES CCNCCOc(c(I)3)c(I)cc(c3)C(=O)c(c(CCCC)1)c(c2)c(ccc2)o1
InChI Key VXOKDLACQICQFA-UHFFFAOYSA-N
Molecular Formula C23H25I2NO3
Exact Mass 616.992 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002805
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:37:31.072401
MetadataModified 2025-02-09T20:20:15.850302
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1600 ChEMBL
DTXSID00232344 EPA CompTox Dashboard
18958 BindingDB
J345.142I Nikkaji
CB0677110 ChemicalBook
PD050347 ProbesDrugs
180711 ChEBI
M31FU99E3Y FDA SRS
83409-32-9 ACToR
15409682 PubChem: Thomson Pharma
104774 PubChem
10455205 eMolecules
SCHEMBL4535165 SureChEMBL
ZINC000014969354 ZINC
HMDB0060528 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.