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
SMILES / InChI / InChIKey
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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
InChI Key AAQOQKQBGPPFNS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
[(2-bromophenyl)methyl](ethyl)dimethylazanium
International Nonproprietary Names Click here for help
INN number INN
927 bretylium tosilate
Synonyms Click here for help
ASL-603 | bretylium tosylate | Bretylol®
Database Links Click here for help
CAS Registry No. 61-75-6
ChEMBL Ligand CHEMBL1199080
DrugBank Ligand DB01158
DrugCentral Ligand 394
GtoPdb PubChem SID 178103706
PubChem CID 2431
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Wikipedia Bretylium