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Substance Name: Quinolinium, 6-amino-1-methyl-4-(p-(p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-, di-p-toluenesulfonate
RN: 50309-15-4
InChIKey: HEETYFAFRQNBGS-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C29-H28-N6-O.2C7-H7-O3-S

Molecular Weight

  • 818.972
 
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Names and Synonyms

  • Quinolinium, 6-amino-1-methyl-4-(p-(p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 50309-15-4

Related Registry Number

  • 50308-94-6 (Parent)

System Generated Number

  • 0050309154

Molecular Formulas

Molecular Formula

  • C29-H28-N6-O.2C7-H7-O3-S

Molecular Formula Fragments

  • C29-H28-N6-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C29H26N6O.2C7H8O3S/c1-34-16-13-25(14-17-34)31-22-8-10-24(11-9-22)33-29(36)20-3-6-23(7-4-20)32-27-15-18-35(2)28-12-5-21(30)19-26(27)28;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-19H,30H2,1-2H3,(H,33,36);2*2-5H,1H3,(H,8,9,10)

InChIKey

HEETYFAFRQNBGS-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].[n+]1(ccc(c2cc(ccc12)N)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 LDLo intraperitoneal 11mg/kg (11mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.