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
- 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
- External Links
- ChemSpider
- 5875
- ChEBI
- 3173
- ChEMBL
- CHEMBL1095292
- Wikipedia
- Bretylium
- Predicted Properties
Property Value Source Water Solubility 0.00013 mg/mL ALOGPS logP 0.57 ALOGPS logP -1.1 Chemaxon logS -6.5 ALOGPS pKa (Strongest Acidic) 17.58 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 72.89 m3·mol-1 Chemaxon Polarizability 23.28 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon