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Substance Name: Quinolinium, 7-acetamido-1-methyl-4-(p-(p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-, di-p-toluenesulfonate
RN: 50309-20-1
InChIKey: DNUQHUMXDBLXAO-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C31-H30-N6-O2.2C7-H7-O3-S

Molecular Weight

  • 861.009
 
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Names and Synonyms

  • Quinolinium, 7-acetamido-1-methyl-4-(p-(p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 50309-20-1

System Generated Number

  • 0050309201

Molecular Formulas

Molecular Formula

  • C31-H30-N6-O2.2C7-H7-O3-S

Molecular Formula Fragments

  • C31-H30-N6-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C31H28N6O2.2C7H8O3S/c1-21(38)32-27-12-13-28-29(16-19-37(3)30(28)20-27)34-24-6-4-22(5-7-24)31(39)35-25-10-8-23(9-11-25)33-26-14-17-36(2)18-15-26;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-20H,1-3H3,(H2,32,34,35,38,39);2*2-5H,1H3,(H,8,9,10)

InChIKey

DNUQHUMXDBLXAO-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].[n+]1(ccc(c2ccc(cc12)NC(=O)C)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)Nc1cc[n+](cc1)C)C.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 97mg/kg (97mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.