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Hydroxychloroquine Sulfate EP Impurity A

CAT: 1596-AR-C02479-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C02479-01Size:10 Units
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CAS Number
1449223-88-4
Synonyms
4- ((7-chloroquinolin-4-yl) amino) -N-ethyl-N- (2-hydroxyethyl) pentan-1-amine oxide; Hydroxychloroquine N-Oxide
Molecular Formula
C18H26ClN3O2
Molecular Weight
351.88
API Name
Chloroquine

Chemical Information

Hydroxychloroquine N-Oxide
CAS Number1449223-88-4
PubChem CID129318684
IUPAC Name4-[(7-chloroquinolin-4-yl)amino]-N-ethyl-N-(2-hydroxyethyl)pentan-1-amine oxide
Molecular FormulaC18H26ClN3O2
Molecular Weight351.9
XLogP3
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity374
SMILES
CC[N+](CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)(CCO)[O-]
InChI
InChI=1S/C18H26ClN3O2/c1-3-22(24,11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
InChIKey
OZFRZWJEVUVFPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxychloroquine N-Oxide
CAS: 1449223-88-4
CID: 129318684
Formula: C18H26ClN3O2
MW: 351.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.9
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass351.1713548
Monoisotopic Mass351.1713548
Topological Polar Surface Area63.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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