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Substance Name: Quinolinium, 1-ethyl-6-(alpha-((1-ethylquinolinium-6-yl)carbamoyl)-p-anisamido)-, di-p-toluenesulfonate
RN: 18520-43-9
InChIKey: GNYXQQNAEPNDMX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H30-N4-O2.2C7-H7-O3-S

Molecular Weight

  • 848.994
 
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Names and Synonyms

  • Quinolinium, 1-ethyl-6-(alpha-((1-ethylquinolinium-6-yl)carbamoyl)-p-anisamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 18520-43-9

System Generated Number

  • 0018520439

Molecular Formulas

Molecular Formula

  • C31-H30-N4-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C31-H30-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C31H28N4O3.2C7H8O3S/c1-3-34-17-5-7-23-19-25(11-15-28(23)34)32-30(36)21-38-27-13-9-22(10-14-27)31(37)33-26-12-16-29-24(20-26)8-6-18-35(29)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-20H,3-4,21H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

GNYXQQNAEPNDMX-UHFFFAOYSA-N

Smiles

c1(S([O-])(=O)=O)ccc(C)cc1.[n+]1(cccc2cc(ccc12)NC(=O)COc1ccc(cc1)C(=O)Nc1cc2ccc[n+](c2cc1)CC)CC.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 4mg/kg (4mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.