mecamylamine   

GtoPdb Ligand ID: 3990

mecamylamine is an approved drug (FDA (2013))
Compound class: Synthetic organic
Comment: Mecamylamine is a non-selective, non-competitive antagonist of nicotinic acetylcholine receptors (nAChRs). It is often used as a research tool for its action as a ganglionic blocker (or ganglioplegic).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 12.03
Molecular weight 167.17
XLogP 2.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNC1(C)C2CCC(C1(C)C)C2
Isomeric SMILES CNC1(C)C2CCC(C1(C)C)C2
InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3
InChI Key IMYZQPCYWPFTAG-UHFFFAOYSA-N
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Isomeric SMILES Download
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InChI standard key Download

Molecular structure representations generated using Open Babel