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Substance Name: Quinolinium, 1-methyl-4-(p-(p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-, di-p-toluenesulfonate
RN: 50309-11-0
InChIKey: RZLVVMHFUCYHBV-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C29-H27-N5-O.2C7-H7-O3-S

Molecular Weight

  • 803.957
 
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Names and Synonyms

  • Quinolinium, 1-methyl-4-(p-(p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 50309-11-0

Related Registry Number

  • 88837-63-2 (Parent)

System Generated Number

  • 0050309110

Molecular Formulas

Molecular Formula

  • C29-H27-N5-O.2C7-H7-O3-S

Molecular Formula Fragments

  • C29-H27-N5-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C29H25N5O.2C7H8O3S/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-20H,1-2H3,(H,32,35);2*2-5H,1H3,(H,8,9,10)

InChIKey

RZLVVMHFUCYHBV-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].[n+]1(ccc(c2ccccc12)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)Nc1cc[n+](cc1)C)C.c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 7500ug/kg (7.5mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.