hexamethonium   

GtoPdb Ligand ID: 3963

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 0
Molecular weight 202.24
XLogP 0.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C[N+](CCCCCC[N+](C)(C)C)(C)C
Isomeric SMILES C[N+](CCCCCC[N+](C)(C)C)(C)C
InChI InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2
InChI Key VZJFGSRCJCXDSG-UHFFFAOYSA-N
No information available.
Summary of Clinical Use
Hexamethonium was used to treat chronic hypertension, but use has been discontinued. No information regarding international approval status is available.
Mechanism Of Action and Pharmacodynamic Effects
Hexamethonium acts as negative allosteric modulator of nicotinic acetylcholine receptor activity in sympathetic and parasympathetic ganglia.