Heteronium Bromide
Structural Formula Vector Image
Title: Heteronium Bromide
CAS Registry Number: 7247-57-6
CAS Name: 3-[(Hydroxyphenyl-2-thienylacetyl)oxy]-1,1-dimethylpyrrolidinium bromide
Additional Names: 3-hydroxy-1,1-dimethylpyrrolidinium bromide a-phenyl-2-thiopheneglycolate; 3-hydroxy-1,1-dimethylpyrrolidinium bromide a-phenyl-a-(2-thienyl)glycolate; 1-methyl-3-pyrrolidyl phenyl-2-thienylglycolate methobromide
Molecular Formula: C18H22BrNO3S
Molecular Weight: 412.34
Percent Composition: C 52.43%, H 5.38%, Br 19.38%, N 3.40%, O 11.64%, S 7.78%
Literature References: Anticholinergic. Prepn: Ryan, Ainsworth, J. Org. Chem. 27, 2901 (1962); of a- and b-diastereoisomers, Ainsworth, Ryan, US 3138614 (1964 to Lilly). Toxicity data: E. I. Goldenthal, Toxicol. Appl. Pharmacol. 18, 185 (1971).
Properties: Crystals from abs ethanol; a- and b-diastereoisomers, separated by fractional crystn, have different crystal forms and different infrared absorption spectra. LD50 in female, male rats (mg/kg): 3399±624, 3576±954 orally (Goldenthal).
Toxicity data: LD50 in female, male rats (mg/kg): 3399±624, 3576±954 orally (Goldenthal)
Derivative Type: a-Diastereoisomer
Properties: Crystals from methanol + ethyl acetate, mp 210-211°.
Melting point: mp 210-211°
Derivative Type: b-Diastereoisomer
Properties: Crystals from methanol + ethyl acetate, mp 182-184°.
Melting point: mp 182-184°
Status: This monograph has been retired and is no longer subject to revision or update.

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