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Chemical structure of Vernakalant

GC37897

Vernakalant

Also known as (3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol

Vernakalant(RSD-1235) is an investigational mixed ion channel blocker that can terminate acute atrial fibrillation (AF) in humans at 2 to 5 mg/kg and may be more atrial-selective than available agents; in treatment of antiarrhythmic

ChemicalCAS794466-70-9MW349.46FormulaC20H31NO4
CAS number
794466-70-9
Molecular weight
349.46
Formula
C20H31NO4
Solubility
Soluble in DMSO
InChIKey
VBHQKCBVWWUUKN-KZNAEPCWSA-N
Catalogue number
GC37897
Brand
GLPBIO
Computed properties PubChem CID 9930049 · XLogP 2.9 · TPSA 51.2 Ų · H-bond donors 1
XLogP
2.9
TPSA
51.2 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
25

SMILES COC1=C(C=C(C=C1)CCO[C@@H]2CCCC[C@H]2N3CC[C@H](C3)O)OC

Computed descriptors from PubChem (CID 9930049), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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