EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:751583 - atopaxar hydrobromide

Default Structure
ChEBI IDCHEBI:751583
ChEBI Nameatopaxar hydrobromide
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHBr.C29H38FN3O5
Net Charge0
Average Mass608.549
Monoisotopic Mass607.20571
SMILESBr.CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2
InChIInChI=1S/C29H38FN3O5.BrH/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32;/h13-15,31H,7-12,16-17H2,1-6H3;1H
InChIKeyUNMBLVOFOAGGCG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
atopaxar hydrobromide (CHEBI:751583) is a aromatic ketone (CHEBI:76224)
Synonyms  Source
Atopaxar hydrobromideChEMBL
E-5555 HBRChEMBL
E5555 HBRChEMBL
ER-172594-06ChEMBL