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CHEBI:5856 - Ibutilide

ChEBI IDCHEBI:5856
ChEBI NameIbutilide
Stars
Last Modified22 February 2017
DownloadsMolfile

FormulaC20H36N2O3S
Net Charge0
Average Mass384.586
Monoisotopic Mass384.24466
SMILESCCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3
InChIKeyALOBUEHUHMBRLE-UHFFFAOYSA-N

Roles Classification

ChEBI Ontology
Synonyms  Source
IbutilideKEGG COMPOUND
ibutilide fumarateDrugCentral
U82209EDrugCentral
U-82209EDrugCentral
U 82209EDrugCentral
Manual XrefsDatabases
C07753KEGG COMPOUND
D08060KEGG DRUG
1412DrugCentral
HMDB0014453HMDB
Registry NumbersSources
CAS:122647-31-8KEGG COMPOUND