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Substance Name: Pyrrolidinium, 1-(2-(2-butoxyethoxy)ethyl)-1-methyl-2-(3-pyridyl)-, p-toluenesulfonate
RN: 63886-43-1
InChIKey: OBLPYPDLSSREHK-UHFFFAOYSA-N

Molecular Formula

  • C18-H31-N2-O2.C7-H8-O3-S

Molecular Weight

  • 479.6581
 
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Names and Synonyms

Synonym

  • 1-(2-(2-Butoxyethoxy)ethyl)-1-methyl-2-(3-pyridyl)pyrrolidinium p-toluenesulfonate

Systematic Name

  • Pyrrolidinium, 1-(2-(2-butoxyethoxy)ethyl)-1-methyl-2-(3-pyridyl)-, p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 63886-43-1

System Generated Number

  • 0063886431

Molecular Formulas

Molecular Formula

  • C18-H31-N2-O2.C7-H8-O3-S

Molecular Formula Fragments

  • C18-H31-N2-O2
  • C7-H8-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C18H31N2O2.C7H8O3S/c1-3-4-12-21-14-15-22-13-11-20(2)10-6-8-18(20)17-7-5-9-19-16-17;1-6-2-4-7(5-3-6)11(8,9)10/h5,7,9,16,18H,3-4,6,8,10-15H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;

InChIKey

OBLPYPDLSSREHK-UHFFFAOYSA-N

Smiles

CCCCOCCOCC[N+]1(CCCC1c2cccnc2)C.Cc1ccc(cc1)S(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 62500ug/kg (62.5mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 48, 1952.