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CHEBI:5612 - Halofantrine

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 Role:
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.
ChEBI Ontology
Outgoing Relation(s)
Halofantrine (CHEBI:5612) is a phenanthrenes (CHEBI:25961)
Synonym  Source
HalofantrineKEGG COMPOUND
Manual XrefsDatabases
C07634KEGG COMPOUND
D08033KEGG DRUG
Registry NumbersSources
CAS:69756-53-2KEGG COMPOUND