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| CAS No.: | 6119-70-6 |
|---|---|
| Name: | Quinine sulfate dihydrate |
| Molecular Structure: | |
|
|
|
| Formula: | 2(C20H24N2O2).H2SO4.2(H2O) |
| Molecular Weight: | 782.956 |
| Synonyms: | Quinamm;FEMA No. 2977;(R)-[(4S,5R,7R)-5-ethenyl-1-azoniabicyclo[2.2.2]oct-7-yl]-(6-methoxyquinolin-4-yl)methanol;Coco-quinine (TN);Quinine sulfate (2:1) (salt) dihydrate;(R)-[(4R,5S,7S)-5-ethenyl-1-azabicyclo[2.2.2]oct-7-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid; dihydrate;6-Methoxycinchonan-9-ol sulfate dihydrate, (8alpha,9R)-, (2:1) (salt);Quinine sulfate (JP14/USP);(R)-[(5S,7S)-5-ethenyl-1-azabicyclo[2.2.2]oct-7-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid; dihydrate;Quinine sulfate dihydrate [USAN:JAN];Quinine, sulfate (2:1), dihydrate;Cinchonan-9-ol, 6-methoxy-, (8alpha,9R)-, sulfate (2:1) (salt), dihydrate;(R)-[(4R,5R,7R)-5-ethenyl-1-azoniabicyclo[2.2.2]oct-7-yl]-(6-methoxyquinolin-4-yl)methanol;Quinine Sulfate [USAN:JAN];QUININE SULFATE DIHYDRATE, 99+%;QUININE SULPHATE GR; |
| EINECS: | 212-359-2 |
| Melting Point: | 233-225 °C |
| Boiling Point: | 992.5 °C at 760 mmHg |
| Flash Point: | 554 °C |
| Solubility: | 0.12 g/100 mL (20 °C) in water |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi,  Xn
|
| Risk Codes: | 36/37/38-42/43-22-36/38 |
| Safety: | 26-45-37-24-37/39 |
| Transport Information: | UN 2811 |
| PSA: | 192.62000 |
| LogP: | 6.52160 |
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| Conditions | Yield |
|---|---|
| at 60℃; | |
| at 36℃; Behandeln mit Ameisensaeure, Essigsaeure, Propionsaeure, Buttersaeure und Milchsaeure; |
- 6119-70-6
quinine; hydrogen sulfate dihydrate
A
- 16934-07-9
(R)-[(1S,2S,4S)-5-Eth-(Z)-ylidene-1-aza-bicyclo[2.2.2]oct-2-yl]-(6-methoxy-quinolin-4-yl)-methanol
B
- 16934-08-0
α-isoquinine
| Conditions | Yield |
|---|---|
| at 100℃; |
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Specification
The IUPAC name of Quinine sulfate dihydrate (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid; dihydrate. With the CAS registry number 6119-70-6, it is also named as Chininum sulphuricum. The product's categories are Antiparasitic / Antiprotozoal / AnthelminthicVoltage-gated Ion Channels; Monovalent Ion Channels; Potassium Channel Modulators; Antiparasitic / Antiprotozoal / Anthelminthic Biochemicals and Reagents; AlkaloidAntibiotics; Biochemicals Found in Plants; Detection; Fluorescent Probes, Labels, Particles and Stains; Nutrition Research; Spectrum of Activity. It is white crystalline powder which is stable and incompatible with strong oxidizing agents, alkalies, ammonia, strong bases and iodine. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 14; (4)#H bond donors: 8; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 148.62 Å2; (7)Flash Point: 554 °C; (8)Enthalpy of Vaporization: 151.62 kJ/mol; (9)Boiling Point: 992.5 °C at 760 mmHg; (10)Vapour Pressure: 0 mmHg at 25°C; (11)Rotatable Bond Count: 8; (12)Exact Mass: 782.356065; (13)MonoIsotopic Mass: 782.356065; (14)Topological Polar Surface Area: 176; (15)Heavy Atom Count: 55; (16)Complexity: 538; (17)Defined Atom StereoCenter Count: 6; (18)Undefined Atom StereoCenter Count: 2.
Uses of Quinine sulfate dihydrate: It is an alkaloid derived from the bark of the cinchona tree. It is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. So people should avoid contact with skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(O)O.O.O.O(c4cc1c(nccc1[C@@H](O)[C@H]2N3CC[C@@H](C2)[C@@H](\C=C)C3)cc4)C.O(c4cc1c(nccc1[C@@H](O)[C@H]2N3CC[C@@H](C2)[C@@H](/C=C)C3)cc4)C
2. InChI:InChI=1/2C20H24N2O2.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