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Hydroxychloroquine sulfate(CAS No. 747-36-4)

Hydroxychloroquine sulfate C18H26ClN3O.H2SO4 (cas 747-36-4) Molecular Structure

747-36-4 Structure

Identification and Related Records

【Name】
Hydroxychloroquine sulfate
【CAS Registry number】
747-36-4
【Synonyms】
Ethanol, 2-((4-((7-chloro-4-quinolyl)amino)pentyl)ethylamino)-, sulfate (1:1) (salt) (8CI)
Plaquenil
Hydroxychloroquine sulfate (USP)
Hidroxicloroquina [INN-Spanish]
Ethanol, 2-((4-((7-chloro-4-quinolinyl)amino)pentyl)ethylamino)-, sulfate (1:1)
Ercoquin
Ethanol, 2-[[4-[(7-chloro-4-quinolyl)amino]pentyl]ethylamino]-, monosulfate
Toremonil
2-((4-((7-Chloro-4-quinolinyl)amino)pentyl)ethylamino)ethanol sulfate (1:1) (salt)
Idrossiclorochina [DCIT]
Ethanol, 2-[[4-[ (7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-, sulfate (1:1) (salt)
Ethanol,2-[[4-[(7-chloro-4-quinolinyl)amino]- pentyl]ethylamino]-,sulfate (1:1) (salt)
Plaquinol
Hydroxychloroquinum [INN-Latin]
Hydroxychloroquine sulphate
Plaquenil sulfate
Plaquenil (TN)
HCQ
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethyl-amino]ethanol
sulfuric acid
Ethanol, 2-[[4-[ (7-chloro-4-quinolyl)amino]pentyl]ethylamino]-, sulfate (1:1) (salt)
Hydroxy Chloroquine Sulphate
Hydroxychloroquine-Sulphate
【EINECS(EC#)】
212-019-3
【Molecular Formula】
C18H26ClN3O.H2SO4 (Products with the same molecular formula)
【Molecular Weight】
433.95002 [g/mol]
【Inchi】
InChI=1/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)/p+2/t14-/m0/s1
【Canonical SMILES】
CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO
【MOL File】
747-36-4.mol

Chemical and Physical Properties

【Appearance】
Odorless Solid
【Melting Point】
240 °C
【Boiling Point】
516.7 °C at 760 mmHg
【Flash Point】
266.3 °C
【Water】
FREELY SOLUBLE
【Solubilities】
Freely Soluble in water
【Stability】
No data.
【Storage temp】
Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container.
【Computed Properties】
Molecular Weight:335.87154 [g/mol]
Molecular Formula:C18H26ClN3O
XLogP3:3.6
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:9
Tautomer Count:3
Exact Mass:335.17644
MonoIsotopic Mass:335.17644
Topological Polar Surface Area:48.4
Heavy Atom Count:23
Formal Charge:0
Complexity:331
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:2
Effective Rotor Count:9
Conformer Sampling RMSD:1
CID Conformer Count:302

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
37/39-26

Use and Manufacturing

【Usage】

An antimalarial; antirheumatic; lupus erythematosus suppressant

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)
- Drugs that are used to treat RHEUMATOID ARTHRITIS.
- Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Supplier Location

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Diamond member Nanjing Bangnuo Biotechnology Co., Ltd
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Hui Chem Company Limited
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Finetech Industry limited.
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Telephone:86-27-87465837

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