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
MCULE-4156227717 Mcule
J7.829H Nikkaji
18957 BindingDB
AMIODARONE DailyMed
229155 Brenda
229156 Brenda
AMIODARONE HYDROCHLORIDE rxnorm
PACERONE rxnorm
CORDARONE rxnorm
AMIODARONE rxnorm
NEXTERONE rxnorm
PACERONE clinicaltrials
NEXTERONE clinicaltrials
SKF 33134-A clinicaltrials
SKF-33134-A clinicaltrials
AMIODARONE clinicaltrials
AMIODARONE HYDROCHLORIDE clinicaltrials
L-3428 clinicaltrials
CORDARONE clinicaltrials
HY-14187 MedChemExpress
BBI PDBe
DTXSID7022592 EPA CompTox Dashboard
176 DrugCentral
ZINC000003830212 ZINC
DB01118 DrugBank
C06823 KEGG Ligand
CHEMBL633 ChEMBL
2663 ChEBI
2566 Guide to Pharmacology
901372 eMolecules
2157 PubChem
PD009796 ProbesDrugs
amiodarone Atlas
N3RQ532IUT FDA SRS
14765719 PubChem: Thomson Pharma
1951-25-3 ACToR
SCHEMBL16284 SureChEMBL
PA448383 PharmGKB
LSM-2379 LINCS
amiodarone DailyMed
MolPort-003-703-670 MolPort
HMDB0015250 Human Metabolome Database
5758 Brenda
CB5310616 ChemicalBook
The data in this table is sourced from UniChem at EBI.