Cinchonan-9-ol, 6'-methoxy-, (9S)-, sulfate (2:1) (salt), monohydrate

Basic Information

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CAS Number

6591-63-5

Molecular Formula

C40H54N4O10S

Molecular Weight

782.94 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

212-214 ºC (dec.)

Water Solubility

Soluble in chloroform, water (11 mg/ml at 20°C), alcohol, and ethanol (50 mg/ml).

Refractive Index

275 ° (C=2, 0.1mol/L HCl)

SMILES

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OS(=O)(=O)O.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O.O.O

InChI

InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19+,20-;;;/m00.../s1

InChIKey

ZHNFLHYOFXQIOW-AHSOWCEXSA-N

LogP

4.044200000000007

Topological Polar Surface Area

228.77999999999997 Å²

Hydrogen Bond Donor/Acceptor

8 / 14

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Light Sensitive

Synonyms & References

English

Quinidine sulfate dihydrate
(S)-[(4S,5R,7R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol sulfate dihydrate
Quinidine Sulfate
Quinidine sulfate salt dihydrate
Quinidine Sulfate Dihydrate

MDL Number

MFCD00135926

FAQ

What is Cinchonan-9-ol, 6'-methoxy-, (9S)-, sulfate (2:1) (salt), monohydrate (CAS: 6591-63-5)?

Cinchonan-9-ol, 6'-methoxy-, (9S)-, sulfate (2:1) (salt), monohydrate is a compound with a specific molecular structure and is commonly used in pharmaceutical applications. It contains one molecule of the cinchonan-9-ol derivative, one molecule of sulfuric acid, and one water molecule.

What are the main uses of Cinchonan-9-ol, 6'-methoxy-, (9S)-, sulfate (2:1) (salt), monohydrate (CAS: 6591-63-5)?

This compound is mainly used in the pharmaceutical and research industries for its anti-malarial and anti-muscarinic properties. It is also utilized in chemical synthesis and as a reagent in laboratory settings.

Is Cinchonan-9-ol, 6'-methoxy-, (9S)-, sulfate (2:1) (salt), monohydrate (CAS: 6591-63-5) safe?

Cinchonan-9-ol, 6'-methoxy-, (9S)-, sulfate (2:1) (salt), monohydrate is generally considered safe when handled properly. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) and avoiding contact with skin and eyes. Storage should be in a cool, dry place away from direct sunlight.

How should Cinchonan-9-ol, 6'-methoxy-, (9S)-, sulfate (2:1) (salt), monohydrate (CAS: 6591-63-5) be stored?

Cinchonan-9-ol, 6'-methoxy-, (9S)-, sulfate (2:1) (salt), monohydrate should be stored in a cool, dry place, preferably between 15-25°C (59-77°F), and away from direct sunlight. The container should be tightly sealed to prevent moisture absorption and ensure stability. It should be kept out of reach of children and away from incompatible materials.