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Quinine dihydrochloride(CAS No. 60-93-5)

Quinine dihydrochloride C20H26Cl2N2O2 (cas 60-93-5) Molecular Structure

60-93-5 Structure

Identification and Related Records

【Name】
Quinine dihydrochloride
【CAS Registry number】
60-93-5
【Synonyms】
Cinchonan-9-ol,6'-methoxy-, dihydrochloride, (8a,9R)- (9CI)
Quinine, dihydrochloride (8CI)
(-)-Quinine dihydrochloride
Acid quinine hydrochloride
Quinine bimuriate
Cinchonan-9-ol,6'-methoxy-, hydrochloride (1:2), (8a,9R)-
【EINECS(EC#)】
200-493-4
【Molecular Formula】
C20H26Cl2N2O2 (Products with the same molecular formula)
【Molecular Weight】
397.38
【Inchi】
InChI=1/C20H24N2O2.2ClH/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;2*1H/t13-,14-,19-,20+;;/m0../s1
【Canonical SMILES】
COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Cl.Cl
【Isomers smiles】
COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.Cl.Cl
【MOL File】
60-93-5.mol

Chemical and Physical Properties

【Appearance】
white solid
【Melting Point】
238-2400 °C
【Boiling Point】
495.9 °C at 760 mmHg
【Flash Point】
253.7 °C
【Stability】
Stable, but may be light sensitive. Efflorescent. Incompatible with strong oxidizing agents.
【HS Code】
29392000
【Computed Properties】
Molecular Weight:397.33864 [g/mol]
Molecular Formula:C20H26Cl2N2O2
H-Bond Donor:3
H-Bond Acceptor:4
Rotatable Bond Count:4
Exact Mass:396.137134
MonoIsotopic Mass:396.137134
Topological Polar Surface Area:45.6
Heavy Atom Count:26
Formal Charge:0
Complexity:457
Isotope Atom Count:0
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:3

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
26-36
【HazardClass】
6.1(b)
【Safety】

Poison by intravenous and subcutaneous routes. Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and HCl. Safety Information of Quinine dihydrochloride (CAS NO.60-93-5) is:
Hazard Codes: Xi
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin 
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 36: Wear suitable protective clothing   
RIDADR: 1544
HazardClass: 6.1(b)
PackingGroup: III

【PackingGroup 】
III
【Transport】
1544
【Specification】

 Quinine dihydrochloride  , its cas register number is 60-93-5. It also can be called (-)-Quinine dihydrochloride ; Acid quinine hydrochloride ; Chinindihydrochlorid ; Quinine HCl ; Cinchonan-9-ol, 6'-methoxy-, dihydrochloride, (8-alpha,9R) (9CI) ; (6-Methoxy-4-quinolyl)(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)methanol dihydrochloride .It is a white solid.

Use and Manufacturing

【Usage】
Primary alkaloid of various species of Cinchona (Rubiaceae). Optical isomer of Quinidine. Antimalarial; muscle relaxant (skeletal)

Biomedical Effects and Toxicity

【Pharmacological Action】
- A subclass of analgesic agents that typically do not bind to OPIOID RECEPTORS and are not addictive. Many non-narcotic analgesics are offered as NONPRESCRIPTION DRUGS.
- Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)
- A heterogeneous group of drugs used to produce muscle relaxation, excepting the neuromuscular blocking agents. They have their primary clinical and therapeutic uses in the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. They have been used also for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in MULTIPLE SCLEROSIS. (From Smith and Reynard, Textbook of Pharmacology, 1991, p358)
【Therapeutic Uses】
Primary alkaloid of various species of Cinchona (Rubiaceae). Optical isomer of Quinidine. Antimalarial; muscle relaxant (skeletal)

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