Quinine Hydrochloride Dihydrate

CAS

6119-47-7

Catalog Number

ACM6119477

Category

Inhibitors

Molecular Weight

396.9

Molecular Formula

C20H29ClN2O4;

MSDS COA Spec Sheet

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Specification

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;

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

Application

Antiprotozoal (malaria).

Storage

Store at -20°C

Complexity

457

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

612-097-2

Exact Mass

396.1815851

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

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

Physical State

Powder

Rotatable Bond Count

Topological Polar Surface Area

47.6 Å²

UNII

711S8Y0T33

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.