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(+) -Chloroquine

CAT: 0013-GTR19217937-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217937-01Size:5 mg
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Description
(+) -Chloroquine is a small molecule inhibitor that blocks the terminal glycosylation of ACE2 in vitro. This aminoquinoline compound is utilized in research on viral entry mechanisms and receptor biology, with applications in both cell-based and animal model studies.
CAS Number
58175-86-3
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
N ([C@H] (CCCN (CC) CC) C) C=1C2=C (N=CC1) C=C (Cl) C=C2
Molecular Formula
C18H26ClN3
Molecular Weight
319.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Chloroquine

(S)-chloroquine is a chloroquine. It is an enantiomer of a (R)-chloroquine.

CAS Number58175-86-3
PubChem CID639540
IUPAC Name(4S)-4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Molecular FormulaC18H26ClN3
Molecular Weight319.9
XLogP4.6
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity309
SMILES
CCN(CC)CCC[C@H](C)NC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKey
WHTVZRBIWZFKQO-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of (+)-Chloroquine
CAS: 58175-86-3
CID: 639540
Formula: C18H26ClN3
MW: 319.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.9
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass319.1815255
Monoisotopic Mass319.1815255
Topological Polar Surface Area28.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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