Quinine hydrochloride dihydrate

Basic Information

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CAS Number

6119-47-7

Molecular Formula

C20H29ClN2O4

Molecular Weight

396.92 g/mol

Chemical Classification

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

115-116 °C (dec.)

Boiling Point

495.9°C at 760 mmHg

Density

0.8550

Water Solubility

Sparingly soluble in water.(0.26 g/L) (25°C),

Flash Point

122 °C

Solubility

H2O: soluble0.25/5g/mL, clear, colorless

Refractive Index

-250 ° (C=2, EtOH)

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.[H]Cl.[H]O[H].[H]O[H]

InChI

InChI=1S/C20H24N2O2.ClH.2H2O/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;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;2*1H2/t13-,14-,19-,20+;;;/m0.../s1

InChIKey

MPQKYZPYCSTMEI-FLZPLBAKSA-N

LogP

1.945600000000001

Topological Polar Surface Area

108.59 Å²

Hydrogen Bond Donor/Acceptor

5 / 6

Complexity

457

Safety Information

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GHS Hazard Pictograms

H302

H317

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Sensitiveness

Light Sensitive

Synonyms & References

English

Quinine hydrochloride dihydrate
(R)-(5-Ethenyl-1-azabicyclo[2.2.2]octan-7-yl)-(6-methoxyquinolin-4-yl)methanol dihydrate hydrochloride
Quinine monohydrochloride dihydrate
Quinidine Hydrochloride Dihydrate
Quinine (hydrochloride dihydrate)
Quinine hydrochloride,(R)-(6-Methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methanolhydrochloride
Quininehydrochloride
Quinine hydrochloride (TN)
DSSTox_CID_27694
DSSTox_RID_82504
DSSTox_GSID_47694
Tox21_303565
Quinine hydrochloride hydrate (JP17)
ST50308481
D02261
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol dihydrate hydrochloride
(1R)((2S,5R)-5-vinylquinuclidin-2-yl)(6-methoxy(4-quinolyl))methan-1-ol, hydra te, hydrate, chloride

MDL Number

MFCD00151248

Customs Code

29392000

FAQ

What is Quinine hydrochloride dihydrate (CAS: 6119-47-7)?

Quinine hydrochloride dihydrate (CAS: 6119-47-7) is a white crystalline powder used as an antimalarial drug. It is the hydrochloride salt form of quinine, with the chemical formula C20H24N2O2·2HCl·2H2O. It exhibits solubility in water and is commonly used in pharmaceutical formulations for its therapeutic properties against malaria and other parasitic infections.

What are the main uses of Quinine hydrochloride dihydrate (CAS: 6119-47-7)?

Quinine hydrochloride dihydrate (CAS: 6119-47-7) is primarily used in pharmaceuticals to treat malaria and related parasitic diseases. It also serves as a research compound for studying antimalarial mechanisms and is occasionally used in veterinary medicine. Its applications include drug development and as an active ingredient in malaria treatments.

Is Quinine hydrochloride dihydrate (CAS: 6119-47-7) safe?

Quinine hydrochloride dihydrate (CAS: 6119-47-7) is generally safe when used as directed, but it may cause side effects like gastrointestinal discomfort or allergic reactions. Safety guidelines recommend handling with gloves and goggles to minimize exposure. It is classified under regulatory standards for medicinal use, requiring proper storage and controlled access to ensure safety.

How should Quinine hydrochloride dihydrate (CAS: 6119-47-7) be stored?

Quinine hydrochloride dihydrate (CAS: 6119-47-7) should be stored in a cool, dry place (20-25°C), away from moisture and light. Keep in airtight, light-proof containers to maintain stability. Avoid exposure to high humidity and extreme temperatures to prevent degradation of its chemical properties.