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CHEBI:754977 - lubabegron fumarate

Default Structure
ChEBI IDCHEBI:754977
ChEBI Namelubabegron fumarate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC4H4O4.C29H29N3O3S.C29H29N3O3S
Net Charge0
Average Mass1115.344
Monoisotopic Mass1114.39688
SMILESCC(C)(Cc1ccc(Oc2ncccc2C#N)cc1)NC[C@H](O)COc1ccccc1-c1cccs1.CC(C)(Cc1ccc(Oc2ncccc2C#N)cc1)NC[C@H](O)COc1ccccc1-c1cccs1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/2C29H29N3O3S.C4H4O4/c2*1-29(2,17-21-11-13-24(14-12-21)35-28-22(18-30)7-5-15-31-28)32-19-23(33)20-34-26-9-4-3-8-25(26)27-10-6-16-36-27;5-3(6)1-2-4(7)8/h2*3-16,23,32-33H,17,19-20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*23-;/m00./s1
InChIKeyMEEKSPBNXICJNQ-CXUXXADZSA-N
ChEBI Ontology
Outgoing Relation(s)
lubabegron fumarate (CHEBI:754977) is a aromatic ether (CHEBI:35618)
Synonyms  Source
Lubabegron fumarateChEMBL
Lubabegron hemifumarateChEMBL
LY-591281ChEMBL
LY591281ChEMBL