CAS No.61-75-6,BRETYLIUM TOSYLATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	61-75-6
Name:	BRETYLIUM TOSYLATE

Formula:	C₁₁H₁₇BrN•C₇H₇O₃S
Molecular Weight:	414.363
Synonyms:	bretyliumtosilate;2bromobenzylethyldimethylammoniumtoluene4sulphonate;2'Deoxy2',2'difluorocytidine;Bretylol
EINECS:	200-516-8
Melting Point:	97-99°
Hazard Symbols:	Xn
Risk Codes:	20/21/22
Safety:	A poison by ingestion, intraperitoneal, subcutaneous, intravenous, and intramuscular routes. An anti-adrenergic agent and antiarrhythmic cardiac depressant. When heated to decomposition it emits very toxic fumes of SO_x, NH₃, NO_x, and Br⁻. See also SULFONATES.
PSA:	65.58000
LogP:	5.02530

Synthetic route

: 1976-04-1
2-bromo-N,N-dimethylbenzylamine

: 80-40-0
ethyl ester of p-toluenesulfonic acid

: 61-75-6
bretylium tosylate

Conditions

Conditions	Yield
In acetone for 12h; Reflux;

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Chemistry

IUPAC Name: (2-Bromophenyl)methyl-ethyl-dimethyl-ammonium ; 4-Methylbenzenesulfonate
Synonyms: Bretylan ; N-(2-bromobenzyl)-N,N-dimethylethanaminium 4-methylbenzenesulfonate ; N-[(2-bromophenyl)methyl]-N,N-dimethylethanaminium 4-methylbenzenesulfonate ; (o-Bromobenzyl)ethyldimethylammonium p-toluenesulfonate
CAS NO:61-75-6
Molecular Formula of (o-Bromobenzyl)ethyldimethyl ammonium-p-toluenesulfonate (CAS NO.61-75-6) :C₁₈H₂₄BrNO₃S
Molecular Weight of (o-Bromobenzyl)ethyldimethyl ammonium-p-toluenesulfonate (CAS NO.61-75-6) :414.36
Molecular structure of (o-Bromobenzyl)ethyldimethyl ammonium-p-toluenesulfonate (CAS NO.61-75-6) :
EINECS: 260-064-2
Index of Refraction: 1.451
Surface Tension: 30.2 dyne/cm
Density: 0.84 g/cm³
Flash Point: 161.5 °C
Enthalpy of Vaporization: 57.36 kJ/mol
Boiling Point: 330.9 °C at 760 mmHg
Vapour Pressure: 0.000161 mmHg at 25°C
Melting point :97-99 °C
Appearance:A white crystalline powder
Solubility:Easily soluble in water, alcohol, acetone, insoluble in benzene, ether, ethyl acetate, hexane.

Uses

(O-Bromobenzyl)ethyldimethyl ammonium-p-toluenesulfonate (CAS NO.61-75-6) as a kind of adrenaline blockers. To increase the ventricular fibrillation threshold , it can prevent ventricular fibrillation, and can directly enhance myocardial contractile force, improving the role of atrioventricular conduction, and ventricular arrhythmia due to various causes.

Production

Raw materials: o-Toluidine-->Methyl bromide -->N,N-Dimethylbenzylamine-->2-Bromotoluene-->2-Bromobenzyl bromide
O-Toluidine as raw material, through the diazotization nitrogen, and replacement of bromine to generate o-Bromo-toluene,in the light ,bromination by Bromine , generating o-Bromobenzyl bromide methyl bromide, and then under pressure amination by dimethylamine to produce o-Bromo-amination benzyl dimethylamine, the last addition with the - ethyl methane sulfonate ,obtaining (o-Bromobenzyl)ethyldimethyl ammonium-p-toluenesulfonate (CAS NO.61-75-6) .

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intramuscular	100mg/kg (100mg/kg)		Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 148, 1979.
dog	LD50	intravenous	43mg/kg (43mg/kg)		Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 148, 1979.
mouse	LD50	intramuscular	64mg/kg (64mg/kg)		Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 148, 1979.
mouse	LD50	intraperitoneal	39mg/kg (39mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 155, Pg. 69, 1965.
mouse	LD50	intravenous	14mg/kg (14mg/kg)		Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 148, 1979.
mouse	LD50	oral	400mg/kg (400mg/kg)		British Journal of Pharmacology and Chemotherapy. Vol. 14, Pg. 536, 1959.
mouse	LD50	subcutaneous	72mg/kg (72mg/kg)		British Journal of Pharmacology and Chemotherapy. Vol. 14, Pg. 536, 1959.
rabbit	LD50	intramuscular	160mg/kg (160mg/kg)		Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 148, 1979.
rabbit	LD50	intravenous	30mg/kg (30mg/kg)		Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 148, 1979.
rat	LD50	intramuscular	84mg/kg (84mg/kg)		Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 148, 1979.
rat	LD50	intraperitoneal	57mg/kg (57mg/kg)		Pharmacology: International Journal of Experimental and Clinical Pharmacology. Vol. 21, Pg. 256, 1980.
rat	LD50	intravenous	17mg/kg (17mg/kg)		Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 148, 1979.
women	TDLo	intravenous	81500ug/kg/15 (81.5mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: COMA VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION	American Journal of Emergency Medicine. Vol. 13, Pg. 177, 1995.

Safety Profile

A poison by ingestion, intraperitoneal, subcutaneous, intravenous, and intramuscular routes. An anti-adrenergic agent and antiarrhythmic cardiac depressant. When heated to decomposition it emits very toxic fumes of SO_x, NH₃, NO_x, and Br⁻. See also SULFONATES.
Hazard Codes Harmful Xn
Risk Statements 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements 36
S36:Wear suitable protective clothing.
RTECS BO9450000