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Substance Name: Quinolinium, 7-amino-4-(p-(2-amino-p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-1-methyl-, di-p-toluenesulfonate
RN: 53290-18-9
InChIKey: DHBHDHXJGUQFGB-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C29-H29-N7-O.2C7-H7-O3-S

Molecular Weight

  • 833.9867
 
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Names and Synonyms

  • Quinolinium, 7-amino-4-(p-(2-amino-p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-1-methyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 53290-18-9

System Generated Number

  • 0053290189

Molecular Formulas

Molecular Formula

  • C29-H29-N7-O.2C7-H7-O3-S

Molecular Formula Fragments

  • C29-H29-N7-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C29H27N7O.2C7H8O3S/c1-35-14-11-22(12-15-35)32-23-8-10-24(26(31)18-23)29(37)34-21-6-4-20(5-7-21)33-27-13-16-36(2)28-17-19(30)3-9-25(27)28;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-18H,1-2H3,(H5,30,31,33,34,37);2*2-5H,1H3,(H,8,9,10)

InChIKey

DHBHDHXJGUQFGB-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1ccc(cc1)Nc2ccc(c(c2)N)C(=O)Nc3ccc(cc3)Nc4cc[n+](c5c4ccc(c5)N)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.