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Chemical structure of N-desethyl Amodiaquine (hydrochloride)

GC44344

N-desethyl Amodiaquine (hydrochloride)

Also known as 4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol;dihydrochloride

N-desethyl Amodiaquine (hydrochloride) (DEAQ) is the major metabolite of the antimalarial compound aminodiaquine, produced by the action of cytochrome P450 isoform 2C8

ChemicalCAS79049-30-2MW400.7FormulaC18H18ClN3O•2HCl
CAS number
79049-30-2
Molecular weight
400.7
Formula
C18H18ClN3O•2HCl
Solubility
DMSO： soluble,Methanol： Soluble,Water： Soluble
InChIKey
BCYBRFGUODDEGH-UHFFFAOYSA-N
Catalogue number
GC44344
Brand
GLPBIO
Computed properties PubChem CID 45358918 · TPSA 57.2 Ų · H-bond donors 5 · H-bond acceptors 4
TPSA
57.2 Ų
H-bond donors
5
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25

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

Computed descriptors from PubChem (CID 45358918), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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