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Chemical structure of Dianicline

GC35858

Dianicline

Also known as (1R,10S)-9-oxa-4,13-diazatetracyclo[11.2.1.01,10.03,8]hexadeca-3(8),4,6-triene

Dianicline is a α4β2 nicotinic acetylcholine receptor partial agonist, a class of drugs that includes varenicline and cytisine for smoking cessation

ChemicalCAS292634-27-6MW216.28FormulaC13H16N2O
CAS number
292634-27-6
Molecular weight
216.28
Formula
C13H16N2O
Solubility
DMSO： 25 mg/mL (86·45 mM)
InChIKey
SUPRUPHAEXPGPF-QWHCGFSZSA-N
Catalogue number
GC35858
Brand
GLPBIO
Computed properties PubChem CID 10176764 · XLogP 1.4 · TPSA 25.4 Ų · H-bond donors 0
XLogP
1.4
TPSA
25.4 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
16

SMILES C1CN2CC[C@@]3(C2)[C@H]1OC4=C(C3)N=CC=C4

Computed descriptors from PubChem (CID 10176764), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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