Quinine Hydrochloride Dihydrate

Catalog Number	ACM6119477
CAS Number	6119-47-7
Structure
Description	Quinine hydrochloride dihydrate (Qualaquin) is an orally active and can be used in anti-malarial studies. Quinine hydrochloride dihydrate is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100 mV with an IC50 of 169 μM.
Synonyms	(8α, 9R)-6′-Methoxycinchonan-9-ol monohydrochloride dihydrate
IUPAC Name	(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride;
Molecular Weight	396.9
Molecular Formula	C20H29ClN2O4;
Canonical SMILES	COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.Cl;
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
InChI Key	MPQKYZPYCSTMEI-FLZPLBAKSA-N
Melting Point	115-116 °C
Purity	98%+
Application	Antiprotozoal (malaria).
Storage	Store at -20°C
Complexity	457
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	4
EC Number	612-097-2
Exact Mass	396.1815851
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.Cl
Monoisotopic Mass	396.1815851
PhysicalState	Powder
Rotatable Bond Count	4
Topological Polar Surface Area	47.6 Ų

Custom Q&A

What is the molecular formula of Quinine hydrochloride dihydrate?

The molecular formula of Quinine hydrochloride dihydrate is C20H27ClN2O3.

What is the CAS number of Quinine hydrochloride dihydrate?

The CAS number of Quinine hydrochloride dihydrate is 6119-47-7.

What are some synonyms of Quinine hydrochloride dihydrate?

Some synonyms of Quinine hydrochloride dihydrate include Cinchonan-9-ol, Quinine HCl Dihydrate, and Quinine Monohydrochloride.

At what temperature does Quinine hydrochloride dihydrate melt?

Quinine hydrochloride dihydrate melts at 115-116 °C.

What is the odor of Quinine hydrochloride dihydrate?

Quinine hydrochloride dihydrate is odorless.

How soluble is Quinine hydrochloride dihydrate in water?

Quinine hydrochloride dihydrate is sparingly soluble in water (0.26 g/L at 25°C).

What color is Quinine hydrochloride dihydrate?

Quinine hydrochloride dihydrate appears as white to off-white in color.

What are the safety hazard codes associated with Quinine hydrochloride dihydrate?

The hazard codes for Quinine hydrochloride dihydrate are Xn and Xi.

What is one of the main uses of Quinine hydrochloride dihydrate?

Quinine hydrochloride dihydrate is used as an antiprotozoal for malaria.

What is the toxicity of Quinine hydrochloride dihydrate in rabbits?

The LD50 of Quinine hydrochloride dihydrate when administered orally in rabbits is 620 mg/kg.

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