CHEBI:156095 - lumefantrine

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ChEBI Name lumefantrine
ChEBI ID CHEBI:156095
Definition Lumefantrine is an antimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of falciparum malaria.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C30H32Cl3NO
Net Charge 0
Average Mass 528.94000
InChI InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-
InChIKey DYLGFOYVTXJFJP-MYYYXRDXSA-N
SMILES CCCCN(CCCC)CC(O)c1cc(Cl)cc2\C(=C/c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12
Roles Classification
Biological Role(s): 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.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via fluorenes )
Application(s): 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.
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ChEBI Ontology
Outgoing lumefantrine (CHEBI:156095) has role antimalarial (CHEBI:38068)
lumefantrine (CHEBI:156095) is a fluorenes (CHEBI:24059)
lumefantrine (CHEBI:156095) is a monochlorobenzenes (CHEBI:83403)
lumefantrine (CHEBI:156095) is a secondary alcohol (CHEBI:35681)
lumefantrine (CHEBI:156095) is a tertiary amine (CHEBI:32876)
IUPAC Name
2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl]ethanol
INN Source
Lumefantrine KEGG DRUG
Synonyms Sources
(±)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-α-((dibutylamino)methyl)fluorene-4-methanol ChemIDplus
2-Dibutylamino-1-[2,7-dichloro-9-(4-chloro-benzylidene)-9H-fluoren-4-yl]-ethanol ChEMBL
2-Dibutylamino-1-{2,7-dichloro-9-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-9H-fluoren-4-yl}-ethanol ChEMBL
Benflumetol ChemIDplus
dl-Benflumelol ChemIDplus
Database Links Databases
D03821 KEGG DRUG
DB06708 DrugBank
Lumefantrine Wikipedia
View more database links
Registry Numbers Types Sources
82186-77-4 CAS Registry Number KEGG DRUG
82186-77-4 CAS Registry Number ChemIDplus
8811003 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
12565929 PubMed citation ChEMBL
12699750 PubMed citation ChEMBL
12798326 PubMed citation ChEMBL
Last Modified
24 octobre 2014