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Hydroxychloroquine-d4 Sulfate

CAT: 0024-sc-280804ASize: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-280804ASize:10 mg
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CAS Number
1216432-56-2

Chemical Information

Hydroxychloroquine-d4 Sulfate
CAS Number1216432-56-2
PubChem CID46781741
IUPAC Name2-[[4-[(7-chloroquinolin-4-yl)amino]-1,1,2,2-tetradeuteriopentyl]-ethylamino]ethanol;sulfuric acid
Molecular FormulaC18H28ClN3O5S
Molecular Weight438.0
Topological Polar Surface Area131
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity413
SMILES
[2H]C([2H])(CC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)C([2H])([2H])N(CC)CCO.OS(=O)(=O)O
InChI
InChI=1S/C18H26ClN3O.H2O4S/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4)/i4D2,10D2;
InChIKey
JCBIVZZPXRZKTI-LINVOLBQSA-N
Chemical Structure
2D Structure
2D structure of Hydroxychloroquine-d4 Sulfate
CAS: 1216432-56-2
CID: 46781741
Formula: C18H28ClN3O5S
MW: 438.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass437.1689269
Monoisotopic Mass437.1689269
Topological Polar Surface Area131 Ų
Heavy Atom Count28
Formal Charge0
Complexity413
Isotope Atom Count4
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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Alternative Products

CatalogName
TRC-H916902-1MGHydroxychloroquine-d4 Sulfate
HY-B1370SHydroxychloroquine-d4 (sulfate)
HY-W031727SHydroxychloroquine-d4-1 (sulfate)
CS-T-99222Hydroxychloroquine-d4 O-Sulfate
HY-B1370-01Hydroxychloroquine (sulfate)
TRC-H916900-250MGHydroxychloroquine Sulfate
10-019Hydroxychloroquine . sulfate
MBS669686-01Hydroxychloroquine. Sulfate
CS-EO-02368Hydroxychloroquine-d4

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