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Chemical structure of Arrhythmias-Targeting Compound 1

GC32668

Arrhythmias-Targeting Compound 1

Also known as 4-[3-[7-(3,3-dimethyl-2-oxobutyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]propylamino]benzonitrile

Arrhythmias-Targeting Compound 1 is used in the research of arrhythmias, extracted from patent WO 2001028992 A2

ChemicalCAS335619-12-0MW384.52FormulaC22H32N4O2
CAS number
335619-12-0
Molecular weight
384.52
Formula
C22H32N4O2
Solubility
Soluble in DMSO
InChIKey
KZOCHEDMAHPYCK-UHFFFAOYSA-N
Catalogue number
GC32668
Brand
GLPBIO
Computed properties PubChem CID 9808484 · XLogP 2.7 · TPSA 68.6 Ų · H-bond donors 1
XLogP
2.7
TPSA
68.6 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
28

SMILES CC(C)(C)C(=O)CN1CC2CN(CC(C1)O2)CCCNC3=CC=C(C=C3)C#N

Computed descriptors from PubChem (CID 9808484), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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