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CHEBI:758124 - clesacostat tromethamine

Default Structure
ChEBI IDCHEBI:758124
ChEBI Nameclesacostat tromethamine
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC4H11NO3.C28H30N4O5
Net Charge0
Average Mass623.707
Monoisotopic Mass623.29551
SMILESCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(cnn2C(C)C)C3)cc(-c2ccc(C(=O)O)cc2)n1.NC(CO)(CO)CO
InChIInChI=1S/C28H30N4O5.C4H11NO3/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36;5-4(1-6,2-7)3-8/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36);6-8H,1-3,5H2
InChIKeyXFSXWQKSSSEPDH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
clesacostat tromethamine (CHEBI:758124) is a aromatic carboxylic acid (CHEBI:33859)
clesacostat tromethamine (CHEBI:758124) is a pyridinemonocarboxylic acid (CHEBI:26420)
Synonyms  Source
Clesacostat tromethamineChEMBL
PF-05221304 tromethamineChEMBL
Citations