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Lumefantrine

CAT: 0013-GTR19172559-05Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172559-05Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lumefantrine is an antimalarial agent used in combination with artemether to treat acute, uncomplicated malaria, including chloroquine-resistant Plasmodium falciparum. It targets the blood-stage parasites and is a key subject of in vivo efficacy studies and in vitro antimalarial susceptibility assays within parasitology research.
CAS Number
82186-77-4
Product Name Alternative
Antiparasitic, Autophagy, Benflumetol, dl-Benflumelol, Parasite, inhibit, Lumefantrine, Inhibitor
Field of Research
Cell Biology, Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
98.36% (May vary between batches)
Solubility
DMSO:5.29 mg/mL (10 mM)
Smiles
C (CN (CCCC) CCCC) (O) C1=C2C (/C (=C\C3=CC=C (Cl) C=C3) /C=4C2=CC=C (Cl) C4) =CC (Cl) =C1
Molecular Formula
C30H32Cl3NO
Molecular Weight
528.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lumefantrine

Lumefantrine is a member of the class of fluorenes that is 9-(p-chlorobenzylidene)-9H-fluorene which is substitutec by chlorine at positions 2 and 7, and by a 2-(dibutylamino)-1-hydroxyethyl group at position 4. An antimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of falciparum malaria. It has a role as an antimalarial. It is a member of fluorenes, a tertiary amine, a secondary alcohol and a member of monochlorobenzenes.

CAS Number82186-77-4
PubChem CID6437380
IUPAC Name2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
Molecular FormulaC30H32Cl3NO
Molecular Weight528.9
XLogP8.7
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity671
SMILES
CCCCN(CCCC)CC(C1=CC(=CC\2=C1C3=C(/C2=C/C4=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-
InChIKey
DYLGFOYVTXJFJP-MYYYXRDXSA-N
Chemical Structure
2D Structure
2D structure of Lumefantrine
CAS: 82186-77-4
CID: 6437380
Formula: C30H32Cl3NO
MW: 528.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.9
XLogP38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass527.154948
Monoisotopic Mass527.154948
Topological Polar Surface Area23.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FL24956-01Lumefantrine
MBS5782508Lumefantrine, (+)-

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