Bretylium tosylateProduct ingredient for Bretylium

Name
Bretylium tosylate
Drug Entry
Bretylium

Bretylium blocks the release of noradrenaline from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation. The primary mode of action for bretylium is thought to be inhibition of voltage-gated K(+) channels. Recent evidence has shown that bretylium may also inhibit the Na,K-ATPase by binding to the extracellular K-site.

Accession Number
DBSALT001050
Structure
Thumb
Synonyms
Bretilio tosilato / Bretylii tosilas / Bretylium tosilate / Bretylium tosylate / Tosilate de bretylium / Tosilato de bretilio
UNII
78ZP3YR353
CAS Number
61-75-6
Weight
Average: 414.36
Monoisotopic: 413.066028
Chemical Formula
C18H24BrNO3S
InChI Key
KVWNWTZZBKCOPM-UHFFFAOYSA-M
InChI
InChI=1S/C11H17BrN.C7H8O3S/c1-4-13(2,3)9-10-7-5-6-8-11(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,4,9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
IUPAC Name
[(2-bromophenyl)methyl](ethyl)dimethylazanium 4-methylbenzene-1-sulfonate
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CC[N+](C)(C)CC1=CC=CC=C1Br
ChemSpider
5875
ChEBI
3173
ChEMBL
CHEMBL1095292
Wikipedia
Bretylium
Predicted Properties
PropertyValueSource
Water Solubility0.00013 mg/mLALOGPS
logP0.57ALOGPS
logP-1.1ChemAxon
logS-6.5ALOGPS
pKa (Strongest Acidic)17.58ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity72.89 m3·mol-1ChemAxon
Polarizability23.28 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon