CHEBI:5612 - Halofantrine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Halofantrine
ChEBI ID CHEBI:5612
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H30Cl2F3NO
Net Charge 0
Average Mass 500.425
Monoisotopic Mass 499.16565
InChI InChI=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
InChIKey FOHHNHSLJDZUGQ-VWLOTQADSA-N
SMILES CCCCN(CCCC)CC[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F
Roles Classification
Biological Role(s): 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 phenanthrenes )
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ChEBI Ontology
Outgoing Halofantrine (CHEBI:5612) is a phenanthrenes (CHEBI:25961)
Synonym Source
Halofantrine KEGG COMPOUND
Manual Xrefs Databases
C07634 KEGG COMPOUND
D08033 KEGG DRUG
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Registry Number Type Source
69756-53-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014