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Chemical structure of Didesethyl chloroquine

GC60770

Didesethyl chloroquine

Also known as 4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine

Didesethyl chloroquine (Bisdesethylchloroquine) is a major metabolite of the antimalarial drug Chloroquine

ChemicalCAS4298-14-0MW263.77FormulaC14H18ClN3
CAS number
4298-14-0
Molecular weight
263.77
Formula
C14H18ClN3
Solubility
DMSO : 100 mg/mL (379·12 mM; Need ultrasonic)
InChIKey
GYEDIFVVTRKXHP-UHFFFAOYSA-N
Catalogue number
GC60770
Brand
GLPBIO
Computed properties PubChem CID 122672 · XLogP 2.9 · TPSA 50.9 Ų · H-bond donors 2
XLogP
2.9
TPSA
50.9 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18

SMILES CC(CCCN)NC1=C2C=CC(=CC2=NC=C1)Cl

Computed descriptors from PubChem (CID 122672), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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