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Chemical structure of Quinine hydrochloride dihydrate

GC61231

Quinine hydrochloride dihydrate

Also known as (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride

Quinine hydrochloride dihydrate (Qualaquin) is an orally active and can be used in anti-malarial studies

ChemicalCAS6119-47-7MW396.91FormulaC20H29ClN2O4
CAS number
6119-47-7
Molecular weight
396.91
Formula
C20H29ClN2O4
Solubility
DMSO: ≥ 100 mg/mL (251·95 mM); Water: 20 mg/mL (50·39 mM)
InChIKey
MPQKYZPYCSTMEI-FLZPLBAKSA-N
Catalogue number
GC61231
Brand
GLPBIO
Computed properties PubChem CID 16211283 · TPSA 47.6 Ų · H-bond donors 4 · H-bond acceptors 6
TPSA
47.6 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27

SMILES COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.Cl

Computed descriptors from PubChem (CID 16211283), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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