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Quinidine

CAT: 1568-C08681-02Size: 1 gDry Ice: YesHazardous: No
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CAT#:1568-C08681-02Size:1 g
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CAS Number
56-54-2
SKU
C08681-100mg
Target
P450 (e.g. CYP17)
Applications
Metabolism
Molecular Formula
C20H24N2O2
Additionnal Information
Quinidine is a pharmaceutical agent that acts as a class I antiarrhythmic agent.
Storage Conditions
2 years -80 in solvent

Chemical Information

Quinidine

Quinidine is a cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. It has a role as an alpha-adrenergic antagonist, an antimalarial, an anti-arrhythmia drug, a sodium channel blocker, a muscarinic antagonist, a P450 inhibitor, a potassium channel blocker, an EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor, an EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor and a drug allergen. It derives from a hydride of a cinchonan.

CAS Number56-54-2
PubChem CID441074
IUPAC Name(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Molecular FormulaC20H24N2O2
Molecular Weight324.4
XLogP2.9
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity457
SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O
InChI
InChI=1S/C20H24N2O2/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/t13-,14-,19+,20-/m0/s1
InChIKey
LOUPRKONTZGTKE-LHHVKLHASA-N
Chemical Structure
2D Structure
2D structure of Quinidine
CAS: 56-54-2
CID: 441074
Formula: C20H24N2O2
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass324.183778013
Monoisotopic Mass324.183778013
Topological Polar Surface Area45.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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