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

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ChEBI Name 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenyl]-1-propanol
ChEBI ID CHEBI:94392
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
InChIKey FOHHNHSLJDZUGQ-UHFFFAOYSA-N
SMILES CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
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 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenyl]-1-propanol (CHEBI:94392) is a phenanthrenes (CHEBI:25961)
Synonyms Sources
halfan DrugCentral
halofantrine HCl DrugCentral
halofantrine hydrochloride DrugCentral
Manual Xrefs Databases
1350 DrugCentral
HMDB0015349 HMDB
LSM-5072 LINCS
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Registry Number Type Source
69756-53-2 CAS Registry Number DrugCentral
Last Modified
22 February 2017