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Hydroxychloroquine Impurity 9

CAT: 1596-AR-H07761-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-H07761-01Size:10 Units
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CAS Number
2732209-42-4
Synonyms
2- ((4- ((7-chloroquinolin-4-yl) (2- ((4- ((7-chloroquinolin-4-yl) amino) pentyl) (ethyl) amino) ethyl) amino) pentyl) (ethyl) amino) ethan-1-ol
Molecular Formula
C36H50Cl2N6O
Molecular Weight
653.74
API Name
Hydroxychloroquine

Chemical Information

Hydroxychloroquine Dimer
CAS Number2732209-42-4
PubChem CID171380081
IUPAC Name2-[4-[(7-chloroquinolin-4-yl)-[2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethyl]amino]pentyl-ethylamino]ethanol
Molecular FormulaC36H50Cl2N6O
Molecular Weight653.7
XLogP7.9
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count19
Heavy Atom Count45
Formal Charge0
Complexity812
SMILES
CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCN(C3=C4C=CC(=CC4=NC=C3)Cl)C(C)CCCN(CC)CCO
InChI
InChI=1S/C36H50Cl2N6O/c1-5-42(19-7-9-27(3)41-33-15-17-39-34-25-29(37)11-13-31(33)34)21-22-44(28(4)10-8-20-43(6-2)23-24-45)36-16-18-40-35-26-30(38)12-14-32(35)36/h11-18,25-28,45H,5-10,19-24H2,1-4H3,(H,39,41)
InChIKey
CCDZRHXSMAAETJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxychloroquine Dimer
CAS: 2732209-42-4
CID: 171380081
Formula: C36H50Cl2N6O
MW: 653.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight653.7
XLogP37.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count19
Exact Mass652.3423156
Monoisotopic Mass652.3423156
Topological Polar Surface Area67.8 Ų
Heavy Atom Count45
Formal Charge0
Complexity812
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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