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Hydroquinidine

CAT: 0013-GTR19163226-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163226-01Size:200 mg
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Description
Dihydroquinidine is an organic compound and as a cinchona alkaloid closely related to quinine.
CAS Number
1435-55-8
Product Name Alternative
Dihydroquinidine | (+) -Hydroquinidine
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO: 47mg/mL
Smiles
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H] (C3=C4C=C (C=CC4=NC=C3) OC) O
Molecular Formula
C20H26N2O2
Molecular Weight
326.43
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Hydroquinidine

Hydroquinidine is under investigation in clinical trial NCT00927732 (Hydroquinidine Versus Placebo in Patients With Brugada Syndrome).

CAS Number1435-55-8
PubChem CID91503
IUPAC Name(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Molecular FormulaC20H26N2O2
Molecular Weight326.4
XLogP3.1
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity432
SMILES
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O
InChI
InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19+,20-/m0/s1
InChIKey
LJOQGZACKSYWCH-LHHVKLHASA-N
Chemical Structure
2D Structure
2D structure of Hydroquinidine
CAS: 1435-55-8
CID: 91503
Formula: C20H26N2O2
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass326.199428076
Monoisotopic Mass326.199428076
Topological Polar Surface Area45.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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