Grundinformationen
- CAS
61-75-6- Standard-SMILES
CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
KVWNWTZZBKCOPM-UHFFFAOYSA-M- Summenformel
- C18H24BrNO3S
- Durchschnittliche Molmasse
- 414,4 g/mol
- Monoisotopische Masse
- 413,06603
Überblick
Bretylium tosylate is the tosylate salt of bretylium. It blocks noradrenaline release 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. It has a role as an antihypertensive agent, an adrenergic antagonist and an anti-arrhythmia drug. It is a quaternary ammonium salt and an organosulfonate salt. It contains a bretylium.
Namen und Bezeichner
- Bevorzugter Name
- Bretylium Tosylate
- IUPAC
- (2-bromophenyl)methyl-ethyl-dimethylazanium;4-methylbenzenesulfonate
- Lokaler Name
- Bretyliumtosilat
- Englischer Name
- BRETYLIUM TOSYLATE
- Summenformel
- C18H24BrNO3S
- Molmasse
- 414.36
Namen und Synonyme
Bretylium tosylate61-75-6BretylolBretylium tosilateDarentinTosilato de bretilioTosilate de bretyliumBretylii tosilasASL-603(o-Bromobenzyl)ethyldimethylammonium p-toluenesulfonateBretilio tosilatoDTXSID1022685
Weitere Namen anzeigen
ornidbretylanbretylatedarenthinesulfonicacidulfonicacid(1:1)BretyliuM p-Tolu
Bretylium Tosylate In Dextrose 5%NSC-621642-Bromo-N-ethyl-N,N-dimethylbenzenemethanaminium 4-methylbenzenesulfonateDimethylethyl-o-bromobenzylammonium-p-toluenesulphonateN-Ethyl-N-o-bromobenzyl-N,N-dimethylammonium tosylate78ZP3YR353Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)CHEBI:3173
Datenbank-Bezeichner
- CAS
61-75-6- PubChem CID
- 6100
- DTXSID
DTXSID1022685- ChEMBL
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 65,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 349
Experimentelle und physikochemische Eigenschaften
Solubility>62.2 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section140.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 97 · 97-99°
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- 2 O: · H2O: soluble50mg/mL
- Aggregatzustand
- Solid
- Farbe
- white
- Major Application
- pharmaceutical (small molecule)
- 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
- InChIKey
- KVWNWTZZBKCOPM-UHFFFAOYSA-M
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Other Safety InformationIMAP assessments - Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1): Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2923900100
- RTECS-Nr.
- BO9450000
- risk_code
- 20/21/22
- Toxizität
- LD50 in mice (mg/kg): 400 orally; 250 i.m. (Goldenthal)
- hazard_code
- Xn
- safety_code
- 36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Drugs that bind to but do not activate ADRENERGIC RECEPTORS. Adrenergic antagonists block the actions of the endogenous adrenergic transmitters EPINEPHRINE and NOREPINEPHRINE.
Anwendungen
VerwendenBretylium tosylate has a biphasic response, initially inducing norepinephrine release followed by sympathetic ganglionic blockade. Bretylium tosylate is a class III antiarrhythmic agent and a competitive inhibitor of acetylcholinesterase.
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