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CHEBI:756111 - trecetilide fumarate

Default Structure
ChEBI IDCHEBI:756111
ChEBI Nametrecetilide fumarate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC21H37FN2O3S.C21H37FN2O3S.C4H4O4
Net Charge0
Average Mass949.278
Monoisotopic Mass948.51274
SMILESCCN(CCCCCC(C)(C)F)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1.CCN(CCCCCC(C)(C)F)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/2C21H37FN2O3S.C4H4O4/c2*1-5-24(16-8-6-7-15-21(2,3)22)17-9-10-20(25)18-11-13-19(14-12-18)23-28(4,26)27;5-3(6)1-2-4(7)8/h2*11-14,20,23,25H,5-10,15-17H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*20-;/m00./s1
InChIKeyODFOUAATRQAOLG-MMSVOLSESA-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)
trecetilide fumarate (CHEBI:756111) is a benzenes (CHEBI:22712)
trecetilide fumarate (CHEBI:756111) is a organic amino compound (CHEBI:50047)
Synonyms  Source
Trecetilide fumarateChEMBL
U-108342EChEMBL