quinidine
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Molecular Identity
quinidine
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
PubChem CID: 441074
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.
2D Structure
Properties
C20H24N2O2
Molecular Formula
324.40
Molecular Weight
g/mol
324.1838
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
45.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
457
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
quinidine56-54-2(+)-QuinidineConquininePitayine(8R,9S)-QuinidineConchinin(9S)-6'-Methoxycinchonan-9-olChinidinQuinidexbeta-QuinineConchinineKinidinbeta-QuinidineQuiniduran
Data from PubChem (NCBI)
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