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CHEBI:754698 - alagebrium

Default Structure
ChEBI IDCHEBI:754698
ChEBI Namealagebrium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC13H14NOS
Net Charge+1
Average Mass232.328
Monoisotopic Mass232.07906
SMILESCc1sc[n+](CC(=O)c2ccccc2)c1C
InChIInChI=1S/C13H14NOS/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3/q+1
InChIKeyLYLFQLCLUXOFOL-UHFFFAOYSA-N
Roles Classification
Application:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
alagebrium (CHEBI:754698) has role cardiovascular drug (CHEBI:35554)
alagebrium (CHEBI:754698) is a aromatic ketone (CHEBI:76224)
Synonyms  Source
AlagebriumChEMBL
Alagebrium cationChEMBL
Alagebrium ionChEMBL