Quinine
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Molecular Identity
Quinine
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
PubChem CID: 3034034
Quinine is a cinchona alkaloid that is cinchonidine in which the hydrogen at the 6-position of the quinoline ring is substituted by methoxy. It has a role as a non-narcotic analgesic, an antimalarial and a muscle relaxant. It is a conjugate base of a quinine(1+). It derives from a hydride of an (8S)-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)
Quinine130-95-0(-)-QuinineChininChinine(8S,9R)-Quinine6'-Methoxycinchonidine(R)-(-)-quininechininumquinina6-MethoxycinchonineRezquinChininum purum(8S,9R)-6'-Methoxycinchonan-9-olA7V27PHC7A
Data from PubChem (NCBI)
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Trials and conditions connected to Quinine
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