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Chemical structure of Amodiaquine dihydrochloride

GC60579

Amodiaquine dihydrochloride

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

Amodiaquine dihydrochloride (Amodiaquin dihydrochloride), a 4-aminoquinoline class of antimalarial agent, is a potent and orally active histamine N-methyltransferase inhibitor with a Ki of 18·6 nM

ChemicalCAS69-44-3MW428.78FormulaC20H24Cl3N3O
CAS number
69-44-3
Molecular weight
428.78
Formula
C20H24Cl3N3O
Solubility
DMSO： 125 mg/mL (291·52 mM)
InChIKey
ROEBJVHPINPMKL-UHFFFAOYSA-N
Catalogue number
GC60579
Brand
GLPBIO
Computed properties PubChem CID 6246 · TPSA 48.4 Ų · H-bond donors 4 · H-bond acceptors 4
TPSA
48.4 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27

SMILES CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl

Computed descriptors from PubChem (CID 6246), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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