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Chemical structure of NS 3861

GC91913

NS 3861

Also known as 3-(3-bromothiophen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

NS 3861 is a neuronal nicotinic acetylcholine receptor (nAChR) agonist

ChemicalCAS216853-59-7MW284.2FormulaC12H14BrNS
CAS number
216853-59-7
Molecular weight
284.2
Formula
C12H14BrNS
Solubility
DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
ZJCNRVHZJADROC-UHFFFAOYSA-N
Catalogue number
GC91913
Brand
GLPBIO
Computed properties PubChem CID 9838728 · XLogP 3.1 · TPSA 31.5 Ų · H-bond donors 0
XLogP
3.1
TPSA
31.5 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15

SMILES CN1C2CCC1C=C(C2)C3=C(C=CS3)Br

Computed descriptors from PubChem (CID 9838728), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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