CHEBI:31298 - Bopindolol malonate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Bopindolol malonate
ChEBI ID CHEBI:31298
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C23H28N2O3.C3H4O4
C26H32N2O7
Net Charge 0
Average Mass 484.542
Monoisotopic Mass 484.22095
InChI InChI=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)
InChIKey LDOONRJGLKHGJI-UHFFFAOYSA-N
SMILES C(C(O)=O)C(O)=O.O(C1=CC=CC2=C1C=C(N2)C)CC(CNC(C)(C)C)OC(=O)C=3C=CC=CC3
ChEBI Ontology
Outgoing Bopindolol malonate (CHEBI:31298) is a benzoate ester (CHEBI:36054)
Synonym Source
Bopindolol malonate KEGG COMPOUND
Manual Xref Database
D01794 KEGG DRUG
View more database links
Registry Number Type Source
82857-38-3 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017