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Substance Name: Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate
RN: 68772-21-4
InChIKey: OBMTWWPHTJKGTI-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C31-H30-N4-O.2C7-H7-O3-S

Molecular Weight

  • 816.9956
 
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Names and Synonyms

  • Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 68772-21-4

System Generated Number

  • 0068772214

Molecular Formulas

Molecular Formula

  • C31-H30-N4-O.2C7-H7-O3-S

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C31H28N4O.2C7H8O3S/c1-3-34-20-17-24(18-21-34)23-9-13-27(14-10-23)33-31(36)25-11-15-26(16-12-25)32-29-19-22-35(4-2)30-8-6-5-7-28(29)30;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-22H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

OBMTWWPHTJKGTI-UHFFFAOYSA-N

Smiles

CC[n+]1ccc(cc1)c2ccc(cc2)NC(=O)c3ccc(cc3)Nc4cc[n+](c5c4cccc5)CC.Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.