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Lumefantrine-[d18]

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General Information
Catalog: BLP-012422
CAS: 1185240-53-2
Molecular Formula: C30H14D18Cl3NO
Molecular Weight: 547.05

Chemical Structure

Description	Lumefantrine-[d18] is the labelled analogue of Lumefantrine, which is an antimalarial drug.
Synonyms	Lumefantrine D18; Benflumetol D18; (9Z)-2,7-Dichloro-9-[(4-chlorophenyl)methylene]-α-[(dibutylamino-d18)methyl]-9H-fluorene-4-methanol; 2-(Dibutylamino-d18)-1-[2,7-dichloro-9-[1-(4-chlorophenyl)meth-(Z)-ylidene]-9H-fluoren-4-yl]ethanol
IUPAC Name	2-[bis(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)amino]-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
Related CAS	82186-77-4 (unlabelled)
Canonical SMILES	CCCCN(CCCC)CC(C1=CC(=CC2=C1C3=C(C2=CC4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)O
InChI	InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-/i1D3,2D3,3D2,4D2,5D2,6D2,13D2,14D2
InChI Key	DYLGFOYVTXJFJP-OASVJRPASA-N
Boiling Point	642.5±55.0 °C at 760 mmHg
Melting Point	126-128°C
Purity	98% by HPLC; 98% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in Chloroform, Ethyl Acetate
Appearance	Yellow Solid
Storage	Store at -20°C