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Hydroxychloroquine

CAT: 0127-BUP16081-05Size: 10 gDry Ice: NoHazardous: No
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CAT#:0127-BUP16081-05Size:10 g
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CAS Number
118-42-3
Synonyms
2-[[4-[ (7-Chloroquinolin-4-yl) amino]pentyl] (ethyl) amino]ethanol
Purity
=98%
Smiles
CCN(CCO)CCCC(C)NC1=CC=NC2=CC(Cl)=CC=C12

Chemical Information

Hydroxychloroquine

Hydroxychloroquine is an aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions. It has a role as an anticoronaviral agent, an antirheumatic drug, an antimalarial and a dermatologic drug. It is a primary alcohol, an organochlorine compound, an aminoquinoline, a secondary amino compound and a tertiary amino compound. It is functionally related to a chloroquine. It is a conjugate base of a hydroxychloroquine(2+).

CAS Number118-42-3
PubChem CID3652
IUPAC Name2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol
Molecular FormulaC18H26ClN3O
Molecular Weight335.9
XLogP3.6
Topological Polar Surface Area48.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity331
SMILES
CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO
InChI
InChI=1S/C18H26ClN3O/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/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
InChIKey
XXSMGPRMXLTPCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxychloroquine
CAS: 118-42-3
CID: 3652
Formula: C18H26ClN3O
MW: 335.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.9
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass335.1764402
Monoisotopic Mass335.1764402
Topological Polar Surface Area48.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-W031727-01Hydroxychloroquine
CS-EO-02368Hydroxychloroquine-d4
HY-B1370-01Hydroxychloroquine (sulfate)
HY-W031727S1Hydroxychloroquine-d5
TRC-H916905-25MGHydroxychloroquine Dimer
TRC-H916920-25MGHydroxychloroquine Diethanol
TRC-H916900-50MGHydroxychloroquine Sulfate

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