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Chemical structure of d-Atabrine dihydrochloride

GC32361

d-Atabrine dihydrochloride

Also known as (4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride

d-Atabrine dihydrochloride is an active enantiomer of quinacrine which displays antiprion activity

ChemicalCAS56100-41-5MW472.88FormulaC23H32Cl3N3O
CAS number
56100-41-5
Molecular weight
472.88
Formula
C23H32Cl3N3O
Solubility
DMSO ： 16·67 mg/mL (35·25 mM)
InChIKey
UDKVBVICMUEIKS-SQKCAUCHSA-N
Catalogue number
GC32361
Brand
GLPBIO
Computed properties PubChem CID 76971372 · TPSA 37.4 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
37.4 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
30

SMILES CCN(CC)CCC[C@H](C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl.Cl

Computed descriptors from PubChem (CID 76971372), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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