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CHEBI:155927 - arterolane maleate

Default Structure
ChEBI IDCHEBI:155927
ChEBI Namearterolane maleate
Stars
DefinitionThe maleic acid salt of arterolane. It is an antimalarial drug used as a fixed combination with piperaquine.
Last Modified26 June 2020
SubmitterAdnan
DownloadsMolfile
FormulaC22H36N2O4.C4H4O4
Net Charge0
Average Mass508.612
Monoisotopic Mass508.27847
SMILESO=C(O)/C=C\C(=O)O.[H][C@]1(CC(=O)NCC(C)(C)N)CC[C@]2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H36N2O4.C4H4O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15;5-3(6)1-2-4(7)8/h14-18H,3-13,23H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15?,16?,17?,18?,21+,22?;
InChIKeySVDSPJJUJMMDFX-CXCXETQFSA-N
Roles Classification
Biological Roles:
antiplasmodial drug  An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
Applications:
antiplasmodial drug  An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
ChEBI Ontology
Outgoing Relation(s)
arterolane maleate (CHEBI:155927) has part arterolane(1+) (CHEBI:155928)
arterolane maleate (CHEBI:155927) has role antimalarial (CHEBI:38068)
arterolane maleate (CHEBI:155927) has role antiplasmodial drug (CHEBI:64915)
arterolane maleate (CHEBI:155927) is a maleate salt (CHEBI:50221)
IUPAC Name 
N-(2-amino-2-methylpropyl)-2-[(1s,4s)-dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.13,7]decan]-4-yl]acetamide (2Z)-but-2-enedioate
Registry NumbersSources
CAS:959520-73-1ChemIDplus
Citations