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N-Desbutyl Lumefantrine-[d9] (E/Z-Mixture)

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General Information
Catalog: BLP-013056
CAS: 1346606-35-6
Molecular Formula: C26H15D9Cl3NO
Molecular Weight: 481.89

Chemical Structure

Description	N-Desbutyl Lumefantrine-[d9] is the labelled analogue of N-Desbutyl Lumefantrine, which is a metabolite of Lumefantrine.
Synonyms	N-Desbutyl Lumefantrine D9; α-[(Butylamino-d9)methyl]-2,7-dichloro-9-[(4-chlorophenyl)methylene]-9H-fluorene-4-methanol; Desbutyl Lumefantrine-d9 (E/Z-Mixture)
IUPAC Name	1-[2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]-2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutylamino)ethanol
Related CAS	252990-19-5 (unlabelled)
Canonical SMILES	CCCCNCC(C1=CC(=CC2=C1C3=C(C2=CC4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)O
InChI	InChI=1S/C26H24Cl3NO/c1-2-3-10-30-15-25(31)24-14-19(29)13-23-21(11-16-4-6-17(27)7-5-16)22-12-18(28)8-9-20(22)26(23)24/h4-9,11-14,25,30-31H,2-3,10,15H2,1H3/i1D3,2D2,3D2,10D2
InChI Key	YLBUTQNEBVPTES-SCEJKDAXSA-N
Melting Point	79-82°C
Purity	≥96% by HPLC; ≥98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Yellow Solid
Storage	Store at -20°C under inert atmosphere