bretylium   Click here for help

GtoPdb Ligand ID: 7130

Synonyms: ASL-603 | bretylium tosylate | Bretylol®
Approved drug
bretylium is an approved drug
Compound class: Synthetic organic
Comment: Bretylium is a substrate for the noradrenaline transporter so it accumulates inside nerve terminals which have this transporter. This accumulation underlies its inhibitory action on the sympathetic nervous system. Bretylium tosylate is no longer available in the US.
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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 3
Topological polar surface area 0
Molecular weight 242.05
XLogP 2.8
No. Lipinski's rules broken 0
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Canonical SMILES CC[N+](Cc1ccccc1Br)(C)C
Isomeric SMILES CC[N+](Cc1ccccc1Br)(C)C
InChI InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1
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Molecular structure representations generated using Open Babel