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CHEBI:180711 - N-desethylamiodarone

ChEBI IDCHEBI:180711
ChEBI NameN-desethylamiodarone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25I2NO3
Net Charge0
Average Mass617.265
Monoisotopic Mass616.99239
SMILESCCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1
InChIInChI=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
InChIKeyVXOKDLACQICQFA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
N-desethylamiodarone (CHEBI:180711) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(2-butyl-1-benzouran-3-yl)-[4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl]methanone
Manual XrefsDatabases
94581ChemSpider
HMDB0060528HMDB
Registry NumbersSources
CAS:83409-32-9ChemIDplus