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Chemical structure of nAChR-IN-1

GC73333

nAChR-IN-1

Also known as (2,2,6,6-tetramethylpiperidin-4-yl) heptanoate

nAChR-IN-1 is a tetrametlpiperidine heptanoate, a selective nicotinic acetylcholine receptor (nAChR) inhibitor that inhibits nAChRs lacking α5, α6, or β3 subunits

ChemicalCAS849461-90-1MW269.42FormulaC16H31NO2
CAS number
849461-90-1
Molecular weight
269.42
Formula
C16H31NO2
Solubility
DMSO : 100 mg/mL (371·17 mM; Need ultrasonic)
InChIKey
PWWKJRFUJIFGGD-UHFFFAOYSA-N
Catalogue number
GC73333
Brand
GLPBIO
Computed properties PubChem CID 11207937 · XLogP 3.9 · TPSA 38.3 Ų · H-bond donors 1
XLogP
3.9
TPSA
38.3 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
19

SMILES CCCCCCC(=O)OC1CC(NC(C1)(C)C)(C)C

Computed descriptors from PubChem (CID 11207937), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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