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CHEBI:94392 - 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenyl]-1-propanol

ChEBI IDCHEBI:94392
ChEBI Name3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenyl]-1-propanol
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC26H30Cl2F3NO
Net Charge0
Average Mass500.432
Monoisotopic Mass499.16565
SMILESCCCCN(CCCC)CCC(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
InChIKeyFOHHNHSLJDZUGQ-UHFFFAOYSA-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)
3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenyl]-1-propanol (CHEBI:94392) is a phenanthrenes (CHEBI:25961)
Synonyms  Source
halofantrine HClDrugCentral
halfanDrugCentral
halofantrine hydrochlorideDrugCentral
Manual XrefsDatabases
LSM-5072LINCS
1350DrugCentral
HMDB0015349HMDB
Registry NumbersSources
CAS:69756-53-2DrugCentral