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Substance Name: Ethanaminium, 2-(2-(1-oxopropoxy)-1-oxopropoxy)-N,N,N-trimethyl-, 4-methylbenzenesulfonate
RN: 55077-38-8
InChIKey: VIBHJDUQKZULJL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H22-N-O4.C7-H7-O3-S

Molecular Weight

  • 403.4931
 
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Names and Synonyms

Synonym

  • 2-(2-(1-Oxopropoxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate

Systematic Name

  • Ethanaminium, 2-(2-(1-oxopropoxy)-1-oxopropoxy)-N,N,N-trimethyl-, 4-methylbenzenesulfonate

Registry Numbers

CAS Registry Number

  • 55077-38-8

System Generated Number

  • 0055077388

Molecular Formulas

Molecular Formula

  • C11-H22-N-O4.C7-H7-O3-S

Molecular Formula Fragments

  • C11-H22-N-O4
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C11H22NO4.C7H8O3S/c1-6-10(13)16-9(2)11(14)15-8-7-12(3,4)5;1-6-2-4-7(5-3-6)11(8,9)10/h9H,6-8H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

VIBHJDUQKZULJL-UHFFFAOYSA-M

Smiles

CCC(=O)OC(C)C(=O)OCC[N+](C)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 400mg/kg (400mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 99, Pg. 1245, 1979.