CHEBI:5857 - Ibutilide fumarate

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ChEBI Name Ibutilide fumarate
ChEBI ID CHEBI:5857
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae 2C20H36N2O3S.C4H4O4
C44H76N4O10S2
Net Charge 0
Average Mass 885.229
Monoisotopic Mass 884.50029
InChI InChI=1S/2C20H36N2O3S.C4H4O4/c2*1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25;5-3(6)1-2-4(7)8/h2*12-15,20-21,23H,4-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKey PCIOHQNIRPWFMV-WXXKFALUSA-N
SMILES C(/C=C/C(O)=O)(O)=O.C=1(C=CC(NS(C)(=O)=O)=CC1)C(CCCN(CCCCCCC)CC)O.C=1(C=CC(=CC1)NS(C)(=O)=O)C(CCCN(CCCCCCC)CC)O
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 fumarate (CHEBI:5857) is a benzenes (CHEBI:22712)
Ibutilide fumarate (CHEBI:5857) is a organic amino compound (CHEBI:50047)
Synonyms Sources
Corvert (TN) KEGG COMPOUND
Ibutilide fumarate KEGG COMPOUND
Manual Xref Database
D00648 KEGG DRUG
View more database links
Registry Number Type Source
122647-32-9 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017