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Chemical structure of Sofiniclin

GC37662

Sofiniclin

Also known as (1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane

Sofiniclin (ABT 894), an agonist of nicotinic acetylcholine receptor (nAChR), is used as a potential non-stimulant research for attention-deficit/hyperactivity disorder (ADHD)

ChemicalCAS799279-80-4MW244.12FormulaC10H11Cl2N3
CAS number
799279-80-4
Molecular weight
244.12
Formula
C10H11Cl2N3
Solubility
DMSO ： 35·71 mg/mL (146·28 mM; ultrasonic and warming and heat to 60°C)
InChIKey
MBQYQLWSBRANKQ-IMTBSYHQSA-N
Catalogue number
GC37662
Brand
GLPBIO
Computed properties PubChem CID 10131048 · XLogP 2 · TPSA 28.2 Ų · H-bond donors 1
XLogP
2
TPSA
28.2 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

SMILES C1[C@H]2CN(C[C@H]2N1)C3=CC(=C(N=C3)Cl)Cl

Computed descriptors from PubChem (CID 10131048), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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