Quinine sulfate hydrate(214)

Basic Information

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CAS Number

6119-70-6

Molecular Formula

C40H58N4O12S

Molecular Weight

818.99 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

233-235 ºC

Boiling Point

495.9°C at 760 mmHg

Density

0.8550

Water Solubility

0.12 g/100 mL (20 ºC)

Flash Point

253.7°C

Solubility

Soluble in a mixture of chloroform and absolute alcohol (2:1).

Specific Rotation

-245 º (c=2, 0.1M HCl)

SMILES

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O[C@@H]([C@H]1N2C[C@@H]([C@]([H])(C1)CC2)C=C)C3=CC=NC4=CC=C(C=C34)OC.O=S(O)(O)=O.[H]O[H].[H]O[H].O[C@@H]([C@H]5N6C[C@@H]([C@]([H])(C5)CC6)C=C)C7=CC=NC8=CC=C(C=C78)OC.[H]O[H].[H]O[H]

InChI

InChI=1S/2C20H24N2O2.H2O4S.4H2O/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);4*1H2/t2*13-,14-,19-,20+;;;;;/m00...../s1

InChIKey

OGONMKDIHSZENR-LKQQEMPKSA-N

LogP

2.394800000000002

Topological Polar Surface Area

291.78 Å²

Hydrogen Bond Donor/Acceptor

12 / 16

Complexity

538

Safety Information

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GHS Hazard Pictograms

H301

H334

H317

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H317 May cause an allergic skin reaction
Sensitization, Skin

Stability

Stable. Incompatible with strong oxidizing agents, alkalies, ammonia, strong bases, iodine.

Sensitiveness

Light Sensitive

Synonyms & References

English

Quinine sulfate dihydrate
quinine sulfate usp
quinine hemisulfate
Quinine sulphate dihydrate
Quinine sulfate salt dihydrate
Quinine hemisulfate salt monohydrate
Quinine Sulfate Dihy
Quinine sulfate fluorescence standard substance
Quinine sulfate hydrate(2:1:4)
Chinin, Formiat
Chinin, Hydrogensulfat-Dihydrat
Chinin, Sulfat-Dihydrat
quinine formate
Quinine Sulfate
quinine, hydrogen sulfate dihydrate
Quinoline-2-carboxylic Acid
SureCN1171129
M201HC068W
Quinine bisulfate
Quinine hydrogen sulphate
Quinine hydrogen sulfate
(R)-(6-Methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol sulfate
Quinine bisulfate [NF]
FEMA No. 2975
Quinine, sulfate (1:1) (salt)
(-)-Quinine Sulfate Dihydrate
8alpha,9R-6'-Methoxycinchonan-9-ol, sulfate (1:1) salt
6'-Methoxycinchonan-9-ol sulfa

MDL Number

MFCD00078499

Customs Code

29392000

FAQ

What is Quinine sulfate hydrate(214) (CAS: 6119-70-6)?

Quinine sulfate hydrate(214) is a compound with the CAS number 6119-70-6. It is a hydrate form of quinine sulfate, which is a derivative of quinine, a natural alkaloid derived from the bark of the cinchona tree. This compound is commonly used in pharmaceutical applications and has a molecular formula of C20H24N2O24S3·H2O. It is known for its antimalarial properties and is typically a white to off-white crystalline powder with a bitter taste.

What are the main uses of Quinine sulfate hydrate(214) (CAS: 6119-70-6)?

Quinine sulfate hydrate(214) (CAS: 6119-70-6) is primarily used in the treatment of malaria due to its antimalarial activity. It is also employed in pharmaceutical formulations for its antipyretic and antiarrhythmic effects. In research settings, it serves as a reference standard for analytical purposes. Additionally, it is used in some industrial applications, such as the synthesis of other compounds and in certain dyes.

Is Quinine sulfate hydrate(214) (CAS: 6119-70-6) safe?

Quinine sulfate hydrate(214) (CAS: 6119-70-6) is generally considered safe when used as directed in medicinal or research contexts. However, it can cause side effects such as gastrointestinal discomfort, hearing loss, and allergic reactions. Proper handling, including the use of gloves and eye protection, is recommended to minimize exposure. Safety standards should be followed to ensure appropriate use and storage conditions.

How should Quinine sulfate hydrate(214) (CAS: 6119-70-6) be stored?

Quinine sulfate hydrate(214) (CAS: 6119-70-6) should be stored in a cool, dry place away from moisture and light. It is typically kept in airtight containers to maintain its stability and prevent degradation. The recommended storage temperature is between 15°C to 25°C, and it should be protected from humidity and direct sunlight to preserve its chemical integrity and efficacy.