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CHEBI:5612 - Halofantrine

Default Structure
ChEBI IDCHEBI:5612
ChEBI NameHalofantrine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H30Cl2F3NO
Net Charge0
Average Mass500.432
Monoisotopic Mass499.16565
SMILESCCCCN(CCCC)CC[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3/t25-/m0/s1
InChIKeyFOHHNHSLJDZUGQ-VWLOTQADSA-N
Roles Classification
Biological Roles:
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.
Application:
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)
Halofantrine (CHEBI:5612) has role antimalarial (CHEBI:38068)
Halofantrine (CHEBI:5612) is a phenanthrenes (CHEBI:25961)
INN  Source
halofantrinaWHO MedNet
Synonyms  Source
DL-WR-171669ChEMBL
HalofantrineKEGG COMPOUND
Manual XrefsDatabases
C07634KEGG COMPOUND
D08033KEGG DRUG
Registry NumbersSources
CAS:69756-53-2KEGG COMPOUND
Citations