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Halofantrine

Properties

Image

Occurences in reactions

MNX_ID

MNXM55867

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₆H₃₀Cl₂F₃NO

charge

mass

499.16565

reference

chebi:5612

InChIKey

FOHHNHSLJDZUGQ-VWLOTQADSA-N

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

SMILES

CCCCN(CCCC)CC[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd04796 seedM:cpd04796 CHEBI:5612 chebi:5612 kegg.compound:C07634 keggC:C07634	Halofantrine
CHEBI:94392 chebi:94392	3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenyl]-1-propanol halfan halofantrine HCl halofantrine hydrochloride
kegg.drug:D08033 keggD:D08033	Halofantrine (INN)
hmdb:HMDB0015349	Halofantrine 1-(1,3-Dichloro-6-trifluoromethyl-9-phenanthryl)-3-di(N-butyl)aminopropanol HCL 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol Halfan Halofantrine hydrochloride halofantrine
hmdb:HMDB15349 keggC:M_C07634 keggD:M_D08033 seedM:M_cpd04796	secondary/obsolete/fantasy identifier