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CHEBI:758130 - irsenontrine maleate

Default Structure
ChEBI IDCHEBI:758130
ChEBI Nameirsenontrine maleate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC4H4O4.C22H22N4O3
Net Charge0
Average Mass506.515
Monoisotopic Mass506.18015
SMILESCOc1ncc(C)c(-c2ccc3c(c2)nc(=O)c2cnn([C@H]4CCOC4)c23)c1C.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C22H22N4O3.C4H4O4/c1-12-9-23-22(28-3)13(2)19(12)14-4-5-16-18(8-14)25-21(27)17-10-24-26(20(16)17)15-6-7-29-11-15;5-3(6)1-2-4(7)8/h4-5,8-10,15H,6-7,11H2,1-3H3,(H,25,27);1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-;/m0./s1
InChIKeyAFKSGMDXSLTKSU-YAKGRJRBSA-N
Roles Classification
Application:
antiparkinson drug  A drug used in the treatment of Parkinson's disease.
ChEBI Ontology
Outgoing Relation(s)
irsenontrine maleate (CHEBI:758130) has role antiparkinson drug (CHEBI:48407)
irsenontrine maleate (CHEBI:758130) is a quinolines (CHEBI:26513)
Synonyms  Source
E2027 maleateChEMBL
E-2027 MALEATEChEMBL
ER-000592221-MALChEMBL
ER-000592221- MALChEMBL
ER-592221-12ChEMBL
Irsenontrine maleateChEMBL