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CHEBI:31298 - Bopindolol malonate

ChEBI IDCHEBI:31298
ChEBI NameBopindolol malonate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC23H28N2O3.C3H4O4
Net Charge0
Average Mass484.549
Monoisotopic Mass484.22095
SMILESCc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2n1.O=C(O)CC(=O)O
InChIInChI=1S/C23H28N2O3.C3H4O4/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17;4-2(5)1-3(6)7/h5-13,18,24-25H,14-15H2,1-4H3;1H2,(H,4,5)(H,6,7)
InChIKeyLDOONRJGLKHGJI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Bopindolol malonate (CHEBI:31298) is a benzoate ester (CHEBI:36054)
Synonym  Source
Bopindolol malonateKEGG COMPOUND
Manual XrefsDatabases
D01794KEGG DRUG
Registry NumbersSources
CAS:82857-38-3KEGG COMPOUND