hexamethonium   Click here for help

GtoPdb Ligand ID: 3963

Compound class: Synthetic organic
Comment: An antagonist at nicotinic acetylcholine receptors on sympathetic and parasympathetic ganglia.
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2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
2047 hexamethonium bromide
Database Links Click here for help
CAS Registry No. 60-26-4 (source: Scifinder)
ChEMBL Ligand CHEMBL100622
DrugCentral Ligand 1366
GtoPdb PubChem SID 178100789
PubChem CID 3604
Search Google for chemical match using the InChIKey VZJFGSRCJCXDSG-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey VZJFGSRCJCXDSG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VZJFGSRCJCXDSG-UHFFFAOYSA-N
Wikipedia Hexamethonium