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Chemical structure of Lumefantrine-d18

GC30378

Lumefantrine-d18

Also listed as Lumefantrine D18 (Benflumetol D18)

Lumefantrine D18 is the deuterium labeled Lumefantrine, which is an antimalarial drug

ChemicalCAS1185240-53-2MW547.05FormulaC30H14D18Cl3NO
CAS number
1185240-53-2
Molecular weight
547.05
Formula
C30H14D18Cl3NO
Solubility
Soluble in DMSO
InChIKey
DYLGFOYVTXJFJP-OASVJRPASA-N
Catalogue number
GC30378
Brand
GLPBIO
Computed properties PubChem CID 46782089 · XLogP 8.7 · TPSA 23.5 Ų · H-bond donors 1
XLogP
8.7
TPSA
23.5 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
35

SMILES [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N(CC(C1=CC(=CC\2=C1C3=C(/C2=C/C4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Computed descriptors from PubChem (CID 46782089), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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