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Chemical structure of KC 12291 hydrochloride

GC16786

KC 12291 hydrochloride

Also known as N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[(5-phenyl-1,2,4-thiadiazol-3-yl)oxy]propan-1-amine;hydrochloride

voltage-gated sodium channel blocker

ChemicalCAS181936-98-1MW449.99FormulaC22H27N3O3S·HCl
CAS number
181936-98-1
Molecular weight
449.99
Formula
C22H27N3O3S·HCl
Solubility
＜11·25mg/ml in Water; ＜22·5mg/ml in DMSO
InChIKey
KIJPRQYBNQKUAU-UHFFFAOYSA-N
Catalogue number
GC16786
Brand
GLPBIO
Computed properties PubChem CID 22902387 · TPSA 85 Ų · H-bond donors 1 · H-bond acceptors 7
TPSA
85 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
30

SMILES CN(CCCOC1=NSC(=N1)C2=CC=CC=C2)CCC3=CC(=C(C=C3)OC)OC.Cl

Computed descriptors from PubChem (CID 22902387), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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