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Chemical structure of Desethyl chloroquine diphosphate

GC39372

Desethyl chloroquine diphosphate

Also known as 4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;phosphoric acid

Desethyl chloroquine diphosphate is a major desethyl metabolite of Chloroquine

ChemicalCAS247912-76-1MW487.81FormulaC16H28ClN3O8P2
CAS number
247912-76-1
Molecular weight
487.81
Formula
C16H28ClN3O8P2
Solubility
H2O ： 20 mg/mL (41·00 mM; ultrasonic and warming and heat to 80°C); DMSO ： 2·63 mg/mL (5·39 mM; ultrasonic and warming and heat to 60°C)
InChIKey
PIKNKEKUPZTKFZ-UHFFFAOYSA-N
Catalogue number
GC39372
Brand
GLPBIO
Computed properties PubChem CID 49849615 · TPSA 192 Ų · H-bond donors 8 · H-bond acceptors 11
TPSA
192 Ų
H-bond donors
8
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
30

SMILES CCNCCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O

Computed descriptors from PubChem (CID 49849615), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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