Dataset

Amiodarone; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001187 contains the MS mass spectrum of Amiodarone with the InChIkey IYIKLHRQXLHMJQ-UHFFFAOYSA-N.

Chemical Information

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-WA001187
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone
    • 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
    AMIODARONE HYDROCHLORIDE rxnorm
    229156 Brenda
    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
    J7.829H Nikkaji
    18957 BindingDB
    AMIODARONE DailyMed
    229155 Brenda
    PACERONE rxnorm
    amiodarone DailyMed
    CB5310616 ChemicalBook
    ZINC000003830212 ZINC
    HMDB0015250 Human Metabolome Database
    5758 Brenda
    MCULE-4156227717 Mcule
    2157 PubChem
    PD009796 ProbesDrugs
    N3RQ532IUT FDA SRS
    amiodarone Atlas
    14765719 PubChem: Thomson Pharma
    1951-25-3 ACToR
    SCHEMBL16284 SureChEMBL
    PA448383 PharmGKB
    LSM-2379 LINCS
    901372 eMolecules
    The data in this table is sourced from UniChem at EBI.