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Chemical structure of NS3861 fumarate

GC50079

NS3861 fumarate

Also known as 3-(3-bromothiophen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene;(E)-but-2-enedioic acid

NS3861 fumarate is an agonist of nicotinic acetylcholine receptors (nAChRs) and binds with high affinity to the heteropolymer α 3 β 4 nAChRs

ChemicalCAS216853-60-0MW400.29FormulaC12H14BrNS·C4H4O4
CAS number
216853-60-0
Molecular weight
400.29
Formula
C12H14BrNS·C4H4O4
Solubility
DMSO ： 100 mg/mL (249·82 mM; Need ultrasonic)
InChIKey
KXBSQPLWTVQFGJ-WLHGVMLRSA-N
Catalogue number
GC50079
Brand
GLPBIO
Computed properties PubChem CID 91826078 · TPSA 106 Ų · H-bond donors 2 · H-bond acceptors 6
TPSA
106 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23

SMILES CN1C2CCC1C=C(C2)C3=C(C=CS3)Br.C(=C/C(=O)O)\C(=O)O

Computed descriptors from PubChem (CID 91826078), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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