CHEBI:5856 - Ibutilide

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ChEBI Name Ibutilide
ChEBI ID CHEBI:5856
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H36N2O3S
Net Charge 0
Average Mass 384.578
Monoisotopic Mass 384.24466
InChI InChI=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
InChIKey ALOBUEHUHMBRLE-UHFFFAOYSA-N
SMILES CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ibutilide (CHEBI:5856) is a benzenes (CHEBI:22712)
Ibutilide (CHEBI:5856) is a organic amino compound (CHEBI:50047)
Synonyms Sources
Ibutilide KEGG COMPOUND
ibutilide fumarate DrugCentral
U 82209E DrugCentral
U-82209E DrugCentral
U82209E DrugCentral
Manual Xrefs Databases
1412 DrugCentral
C07753 KEGG COMPOUND
D08060 KEGG DRUG
HMDB0014453 HMDB
View more database links
Registry Number Type Source
122647-31-8 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017