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CHEBI:5857 - Ibutilide fumarate

ChEBI IDCHEBI:5857
ChEBI NameIbutilide fumarate
Stars
Last Modified6 March 2017
DownloadsMolfile
Formula2C20H36N2O3S.C4H4O4
Net Charge0
Average Mass885.244
Monoisotopic Mass884.50029
SMILESCCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.O=C(O)/C=C/C(=O)O
InChIInChI=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+
InChIKeyPCIOHQNIRPWFMV-WXXKFALUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ibutilide fumarate (CHEBI:5857) is a benzenes (CHEBI:22712)
Ibutilide fumarate (CHEBI:5857) is a organic amino compound (CHEBI:50047)
Synonyms  Source
Ibutilide fumarateKEGG COMPOUND
Corvert (TN)KEGG COMPOUND
Manual XrefsDatabases
D00648KEGG DRUG
Registry NumbersSources
CAS:122647-32-9KEGG COMPOUND