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CAS No 7247-57-6 , Pyrrolidinium,3-[[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]oxy]-1,1-dimethyl-, bromide (1:1)

  • Name: Pyrrolidinium,3-[[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]oxy]-1,1-dimethyl-, bromide (1:1)
  • CAS Registry Number:
  • Molecular Weight: 0
  • InChI: InChI=1/C18H22NO3S.BrH/c1-19(2)11-10-15(13-19)22-17(20)18(21,16-9-6-12-23-16)14-7-4-3-5-8-14;/h3-9,12,15,21H,10-11,13H2,1-2H3;1H/q+1;/p-1
  • Molecular Formula: C18H22 N O3 S . Br
  • Molecular Structure:CAS No:7247-57-6 Pyrrolidinium,3-[[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]oxy]-1,1-dimethyl-, bromide (1:1)

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References of Pyrrolidinium,3-[[2-hydroxy-2-phenyl-2-(2-thienyl)acetyl]oxy]-1,1-dimethyl-, bromide (1:1)
Title: Heteronium Bromide
CAS Registry Number: 7247-57-6
CAS Name: 3-[(Hydroxyphenyl-2-thienylacetyl)oxy]-1,1-dimethylpyrrolidinium bromide
Synonyms: 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.