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Substance Name: Quinolinium, 4-((p-(p-acetylphenyl)carbamoyl)anilino)-7-amino-1-methyl-, p-amidinohydrazone, p-toluenesulfonate, mono-p-toluenesulfonate
RN: 50309-10-9
InChIKey: ZIUQSCWGLLJDEP-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C26-H27-N8-O.C7-H7-O3-S.C7-H8-O3-S

Molecular Weight

  • 810.953
 
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Names and Synonyms

  • Quinolinium, 4-((p-(p-acetylphenyl)carbamoyl)anilino)-7-amino-1-methyl-, p-amidinohydrazone, p-toluenesulfonate, mono-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 50309-10-9

System Generated Number

  • 0050309109

Molecular Formulas

Molecular Formula

  • C26-H27-N8-O.C7-H7-O3-S.C7-H8-O3-S

Molecular Formula Fragments

  • C26-H27-N8-O
  • C7-H7-O3-S
  • C7-H8-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C26H26N8O.2C7H8O3S/c1-16(32-33-26(28)29)17-3-8-21(9-4-17)31-25(35)18-5-10-20(11-6-18)30-23-13-14-34(2)24-15-19(27)7-12-22(23)24;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-15H,1-2H3,(H7,27,28,29,30,31,32,33,35);2*2-5H,1H3,(H,8,9,10)

InChIKey

ZIUQSCWGLLJDEP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 31mg/kg (31mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.