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60-44-6

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Basic Information
CAS No.: 60-44-6
Name: 2-(alpha-cyclopentyl-alpha-2-thienylglycolloyloxy)ethyldiethyl(methyl)ammonium bromide
Molecular Structure:
Molecular Structure of 60-44-6 (2-(alpha-cyclopentyl-alpha-2-thienylglycolloyloxy)ethyldiethyl(methyl)ammonium bromide)
Formula: C18H30 N O3 S . Br
Molecular Weight: 420.46
Synonyms: Ammonium,diethyl(2-hydroxyethyl)methyl-, bromide, a-cyclopentyl-2-thiopheneglycolate (8CI);Diethyl(2-hydroxyethyl)methylammonium bromide, a-cyclopentyl-2-thiopheneglycolate (6CI,7CI);Ethanaminium,2-[(cyclopentylhydroxy-2-thienylacetyl)oxy]-N,N-diethyl-N-methyl-, bromide(9CI); 2-Thiopheneglycolic acid, a-cyclopentyl-, ester with diethyl(2-hydroxyethyl)methylammonium bromide(8CI); 2-Diethylaminoethyl 2-cyclopentyl-2-(2-thienyl)hydroxyacetatemethobromide; 2-Diethylaminoethyl a-cyclopentyl-2-thiopheneglycolate methobromide; Monodral; Monodralbromide; NSC 61814; Penthienate bromide; Win 4369
Melting Point: 124.6°
Safety: Poison by intravenous and subcutaneous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NH3, NOx, SOx, and Br−.
PSA: 74.77000
LogP: 0.15950
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Chemistry

IUPAC Name: 2-(2-Cyclopentyl-2-hydroxy-2-thiophen-2-ylacetyl)oxyethyl-diethyl-methylazanium bromide
Synonyms of Penthienate bromide (CAS NO.60-44-6) : 2-[(Cyclopentylhydroxy-2-thienylacetyl)oxy]-N,N-diethyl-N-methylethanaminiumBromide ; 2-[2-Cyclopentyl(hydroxy)2-thienylacetoxy]-N,N-diethyl-N-methylethanaminium bromide ; 2-Diethylaminoethyl-a-cyclopentyl-2-thiopheneglycolate Methobromide ; Diethyl(2-hydroxyethyl)methylammonium Bromide a-Cyclopentyl-2-thiopheneglycolate ; Diethyl-2-[1-hydroxy-1-cyclopentyl-1-(2-thienyl)acetoxy]ethylmethylammoniumBromide ; Ethanaminium, 2-[[2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxy]-N,N-diethyl-N-methyl-, bromide (1:1)
CAS NO: 60-44-6
Molecular Formula of Penthienate bromide (CAS NO.60-44-6) :C18H30BrNO3S
Molecular Weight of Penthienate bromide (CAS NO.60-44-6) :420.4047
Molecular Structure of Penthienate bromide (CAS NO.60-44-6) :
EINECS: 200-478-2

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 99mg/kg (99mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 151, Pg. 614, 1957.
mouse LD50 intravenous 16mg/kg (16mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 110, Pg. 282, 1954.
mouse LD50 oral 2080mg/kg (2080mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 110, Pg. 282, 1954.
mouse LD50 subcutaneous 350mg/kg (350mg/kg)   Compilation of LD50 Values of New Drugs.

 

Safety Profile

Poison by intravenous and subcutaneous routes. Moderately toxic by ingestion. When Penthienate bromide (CAS NO.60-44-6) is heated to decomposition, it emits very toxic fumes of NH3, NOx, SOx, and Br−.