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Cletoquine hydrochloride

CAT: 1410-M32848-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M32848-01Size:5 mg
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Description
Cletoquine hydrochloride is a major active metabolite of Hydroxychloroquine. Cletoquine hydrochloride is a Chloroquine derivative and exhibits the ability to against the chikungunya virus (CHIKV) . Cletoquine hydrochloride exhibits antimalarial effects.
CAS Number
159358-29-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
344.28
Molecular Formula
C16H23Cl2N3O
Notes
Research use only, not for human use.
Receptor
Influenza Virus | Parasite

Chemical Information

Cletoquine Hydrochloride
CAS Number159358-29-9
PubChem CID168442593
IUPAC Name2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol;hydrochloride
Molecular FormulaC16H23Cl2N3O
Molecular Weight344.3
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity293
SMILES
CC(CCCNCCO)NC1=C2C=CC(=CC2=NC=C1)Cl.Cl
InChI
InChI=1S/C16H22ClN3O.ClH/c1-12(3-2-7-18-9-10-21)20-15-6-8-19-16-11-13(17)4-5-14(15)16;/h4-6,8,11-12,18,21H,2-3,7,9-10H2,1H3,(H,19,20);1H
InChIKey
QHQKUZCYOUFMEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cletoquine Hydrochloride
CAS: 159358-29-9
CID: 168442593
Formula: C16H23Cl2N3O
MW: 344.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass343.1218178
Monoisotopic Mass343.1218178
Topological Polar Surface Area57.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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