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Chemical structure of Ethylhydrocupreine hydrochloride

GC63580

Ethylhydrocupreine hydrochloride

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

Ethylhydrocupreine hydrochloride (Optochin hydrochloride) is a quinine derivate with antimicrobial activity against S

ChemicalCAS3413-58-9MW376.92FormulaC21H29ClN2O2
CAS number
3413-58-9
Molecular weight
376.92
Formula
C21H29ClN2O2
Solubility
DMSO ： 125 mg/mL (331·64 mM; Need ultrasonic)
InChIKey
QNRATNLHPGXHMA-XZHTYLCXSA-N
Catalogue number
GC63580
Brand
GLPBIO
Computed properties PubChem CID 16219340 · TPSA 45.6 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
45.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26

SMILES CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OCC)O.Cl

Computed descriptors from PubChem (CID 16219340), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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