Dataset

Amiodarone

This MassBank record with Accession MSBNK-Waters-WA001190 contains the MS mass spectrum of Amiodarone with the InChIkey IYIKLHRQXLHMJQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
SMILES CCCCc(o2)c(c(c3)c(ccc3)2)C(=O)c(c1)cc(I)c(OCCN(CC)CC)c(I)1
InChI Key IYIKLHRQXLHMJQ-UHFFFAOYSA-N
Molecular Formula C25H29I2NO3
Exact Mass 645.024 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-WA001190
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:33.660245
MetadataModified 2024-01-11T22:50:33.823838
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB01118 DrugBank
C06823 KEGG Ligand
CHEMBL633 ChEMBL
2663 ChEBI
2566 Guide to Pharmacology
901372 eMolecules
1951-25-3 ACToR
LSM-2379 LINCS
amiodarone Atlas
N3RQ532IUT FDA SRS
PD009796 ProbesDrugs
2157 PubChem
SCHEMBL16284 SureChEMBL
PA448383 PharmGKB
14765719 PubChem: Thomson Pharma
J7.829H Nikkaji
MCULE-4156227717 Mcule
176 DrugCentral
DTXSID7022592 EPA CompTox Dashboard
18957 BindingDB
AMIODARONE DailyMed
229155 Brenda
229156 Brenda
CORDARONE rxnorm
AMIODARONE HYDROCHLORIDE rxnorm
AMIODARONE rxnorm
NEXTERONE rxnorm
PACERONE rxnorm
L-3428 clinicaltrials
PACERONE clinicaltrials
NEXTERONE clinicaltrials
SKF 33134-A clinicaltrials
SKF-33134-A clinicaltrials
AMIODARONE clinicaltrials
AMIODARONE HYDROCHLORIDE clinicaltrials
CORDARONE clinicaltrials
HY-14187 MedChemExpress
BBI PDBe
ZINC000003830212 ZINC
HMDB0015250 Human Metabolome Database
5758 Brenda
CB5310616 ChemicalBook
amiodarone DailyMed
The data in this table is sourced from UniChem at EBI.