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Hydroxychloroquine (HCQ) Sulfate

CAT: 0957-S4430-01Size: 10 mgDry Ice: YesHazardous: No
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CAT#:0957-S4430-01Size:10 mg
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Description
Hydroxychloroquine (HCQ) Sulfate is an antimalarial agent used for the treatment of systemic lupus erythematosus, rheumatoid arthritis and other autoimmune, inflammatory and dermatologic conditions. Also acts as an inhibitor of autophagy and toll-like receptor (TLR) 7/9.
CAS Number
747-36-4
Synonyms
NSC 4375
Target
Autophagy
Activity
Autophagy
Molecular Formula
C18H28ClN3O5S
Storage Conditions
2 years -80 in solvent

Chemical Information

Hydroxychloroquine Sulfate

Hydroxychloroquine Sulfate is a synthetic derivative of quinolyl with chemotherapeutic and antibiotic properties, Hydroxychloroquine Sulfate acts against erythrocytic malarial parasites (Plasmodium vivax, ovale, and malariae) by concentrating in food vacuoles. It inhibits plasmodial heme polymerase and acts through other unknown mechanisms. Hydroxychloroquine also has anti-inflammatory properties and is used in the treatment of rheumatoid arthritis and lupus erythematosus. (NCI04)

CAS Number747-36-4
PubChem CID12947
IUPAC Name2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;sulfuric acid
Molecular FormulaC18H28ClN3O5S
Molecular Weight434.0
Topological Polar Surface Area131
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity413
SMILES
CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)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)
InChIKey
JCBIVZZPXRZKTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxychloroquine Sulfate
CAS: 747-36-4
CID: 12947
Formula: C18H28ClN3O5S
MW: 434.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass433.1438199
Monoisotopic Mass433.1438199
Topological Polar Surface Area131 Ų
Heavy Atom Count28
Formal Charge0
Complexity413
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

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