Quinine sulfate

Basic Information

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CAS Number

804-63-7

Molecular Formula

C20H26N2O6S

Molecular Weight

422.5 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

235.2°C

Boiling Point

911.6 °C at 760 mmHg

Density

1.0807 (rough estimate)

Flash Point

505.1 °C

Refractive Index

1.6000 (estimate)

SMILES

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O[C@H](C1=C2C=C(C=CC2=NC=C1)OC)[C@H]3N4CC[C@@]([H])(C3)[C@@H](C=C)C4.O=S(O)(O)=O

InChI

InChI=1S/C20H24N2O2.H2O4S/c1-3-13-12-22-9-7-14(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/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t13-,14-,19-,20+;/m0./s1

InChIKey

AKYHKWQPZHDOBW-DSXUQNDKSA-N

LogP

2.5203999999999995

Topological Polar Surface Area

120.19000000000003 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

538

Safety Information

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Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

quinine sulphate
Quinine sulfate
chinidinesulfate

MDL Number

MFCD00135950

FAQ

What regulatory guidelines apply to Quinine sulfate (CAS: 804-63-7)?

Quinine sulfate (CAS: 804-63-7) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as an irritant. In the EU, it falls under REACH regulations, requiring manufacturers and importers to register substances above a certain tonnage. FDA and EPA have specific guidelines for the handling and use of pharmaceutical-grade quinine sulfate, including requirements for labeling, storage, and disposal.

Are there alternatives to Quinine sulfate (CAS: 804-63-7) in its synthesis?

Depending on the specific application, alternatives to quinine sulfate in synthesis include other antimalarial agents such as chloroquine and artemisinin. For synthetic routes, substituting quinine sulfate with its salts or esters, or using related alkaloids, can also be considered. However, the choice of alternative depends on the desired properties and the specific chemical transformation.

What is the market or research trend for Quinine sulfate (CAS: 804-63-7)?

Research on quinine sulfate (CAS: 804-63-7) is focused on its use as an antimalarial agent and in synthetic organic chemistry. Market trends show a steady demand, particularly in emerging markets. However, due to its side effects, there is increasing interest in developing safer and more effective alternatives, which may influence future research directions.

How should waste containing Quinine sulfate (CAS: 804-63-7) be handled?

Waste containing quinine sulfate (CAS: 804-63-7) should be collected in appropriate containers lined with impermeable materials. It should be stored in a secure, well-ventilated area away from sources of heat or ignition. For disposal, it is recommended to contact a hazardous waste management facility or a specialized company for incineration or chemical treatment to minimize environmental impact.