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Chemical structure of Desethylamodiaquine

GC36709

Desethylamodiaquine

Also listed as N-Desethyl amodiaquine

N-Desethyl amodiaquine is an antiparasitic agent, has inhibitory for strains V1/S and 3D7 with IC50 values of 97nM and 25nM, respectively

ChemicalCAS79352-78-6MW327.81FormulaC18H18ClN3O
CAS number
79352-78-6
Molecular weight
327.81
Formula
C18H18ClN3O
Solubility
DMSO: 125 mg/mL (381·32 mM)
InChIKey
VRXFDHAGFYWGHT-UHFFFAOYSA-N
Catalogue number
GC36709
Brand
GLPBIO
Computed properties PubChem CID 122068 · XLogP 2.3 · TPSA 57.2 Ų · H-bond donors 3
XLogP
2.3
TPSA
57.2 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23

SMILES CCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O

Computed descriptors from PubChem (CID 122068), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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