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Chemical structure of Quinine

GC41455

Quinine

Also known as (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol

Quinine is an alkaloid antimalarial agent that has MIC values ranging from 10 to 500 nM for 60 Thai isolates of P

ChemicalCAS130-95-0MW324.4FormulaC20H24N2O2
CAS number
130-95-0
Molecular weight
324.4
Formula
C20H24N2O2
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,Ethanol： 30 mg/ml
InChIKey
LOUPRKONTZGTKE-UHFFFAOYSA-N
Catalogue number
GC41455
Brand
GLPBIO
Computed properties PubChem CID 1065 · XLogP 2.9 · TPSA 45.6 Ų · H-bond donors 1
XLogP
2.9
TPSA
45.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24

SMILES COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O

Computed descriptors from PubChem (CID 1065), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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