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Substance Name: Pyrrolidinium, 1,1'-((1,2-diethyl-1,2-ethanediyl)di-p-phenylene)bis(1-methyl-, dibenzenesulfonate, meso-
RN: 15209-47-9
InChIKey: RAJGJSAYAQOAPN-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H42-N2.2C6-H5-O3-S

Molecular Weight

  • 720.991
 
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Names and Synonyms

Synonyms

  • (1,1'-(1,2-Diethylethylene)di-p-phenylene)bis(1-methylpyrrolidinium), dibenzenesulfonate
  • Dibenzosulphomethylate-p,p'-bis(N-pyrrolidinyl-meso-3,4-diphenyl)hexane
  • IEM 574

Systematic Names

  • Pyrrolidinium, 1,1'-((1,2-diethyl-1,2-ethanediyl)di-4,1-phenylene)bis(1-methyl-, (R-(R*,S*))-, dibenzenesulfonate
  • Pyrrolidinium, 1,1'-((1,2-diethyl-1,2-ethanediyl)di-p-phenylene)bis(1-methyl-, dibenzenesulfonate, meso-

Registry Numbers

CAS Registry Number

  • 15209-47-9

System Generated Number

  • 0015209479

Molecular Formulas

Molecular Formula

  • C28-H42-N2.2C6-H5-O3-S

Molecular Formula Fragments

  • C28-H42-N2
  • C6-H5-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C28H42N2.2C6H6O3S/c1-5-27(23-11-15-25(16-12-23)29(3)19-7-8-20-29)28(6-2)24-13-17-26(18-14-24)30(4)21-9-10-22-30;2*7-10(8,9)6-4-2-1-3-5-6/h11-18,27-28H,5-10,19-22H2,1-4H3;2*1-5H,(H,7,8,9)/q+2;;/p-2

InChIKey

RAJGJSAYAQOAPN-UHFFFAOYSA-L

Smiles

c1(ccccc1)S(=O)(=O)[O-].c1c(ccc(c1)[C@@H]([C@@H](c1ccc([N+]2(CCCC2)C)cc1)CC)CC)[N+]1(CCCC1)C.c1(ccccc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 210ug/kg (0.21mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Russian Pharmacology and Toxicology Vol. 32, Pg. 74, 1969.