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Substance Name: Quinolinium, 6-amino-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)ureylene)anilino)-, di-p-toluenesulfonate
RN: 50309-29-0
InChIKey: NIRPRAPRLCDZKK-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C29-H30-N7-O.2C7-H7-O3-S

Molecular Weight

  • 833.987
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 50309-29-0

System Generated Number

  • 0050309290

Molecular Formulas

Molecular Formula

  • C29-H30-N7-O.2C7-H7-O3-S

Molecular Formula Fragments

  • C29-H30-N7-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C29H27N7O.2C7H8O3S/c1-35-16-13-25(14-17-35)31-21-4-8-23(9-5-21)33-29(37)34-24-10-6-22(7-11-24)32-27-15-18-36(2)28-12-3-20(30)19-26(27)28;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-19H,30H2,1-2H3,(H2,33,34,37);2*2-5H,1H3,(H,8,9,10)

InChIKey

NIRPRAPRLCDZKK-UHFFFAOYSA-N

Smiles

c1(S(=O)(=O)[O-])ccc(C)cc1.[n+]1(ccc(c2cc(ccc12)N)Nc1ccc(cc1)NC(=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 6mg/kg (6mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.