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Chloroquine Phosphate 250mg

CAT: 0628-A16445-250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0628-A16445-250Size:250 mg
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CAS Number
50-63-5

Chemical Information

(+-)-Chloroquine diphosphate

EGb761 is a standardized ginkgo biloba extract with antioxidant and neuroprotective activities. EGb761 has been shown to inhibit the proliferation of certain tumor cells in vitro. (NCI04)

CAS Number50-63-5
PubChem CID83818
IUPAC Name4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
Molecular FormulaC18H29ClN3O4P
Molecular Weight417.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity358
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O
InChI
InChI=1S/C18H26ClN3.H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);(H3,1,2,3,4)
InChIKey
AEUAEICGCMSYCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-Chloroquine diphosphate
CAS: 50-63-5
CID: 83818
Formula: C18H29ClN3O4P
MW: 417.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight417.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass417.1584211
Monoisotopic Mass417.1584211
Topological Polar Surface Area106 Ų
Heavy Atom Count27
Formal Charge0
Complexity358
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