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Substance Name: Pyridinium, 3-(p-(p-((p-(3-(p-amidinophenyl)2-triazeno)phenyl)carbamoyl)benzamido)benzamido)-1-methyl-, p-toluenesulfonate, mono-p-toluenesulfonate
RN: 23625-77-6
InChIKey: LFMRLNZJDMVMAK-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C34-H30-N9-O3.C7-H8-O3-S.C7-H7-O3-S

Molecular Weight

  • 956.07
 
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Names and Synonyms

  • Pyridinium, 3-(p-(p-((p-(3-(p-amidinophenyl)2-triazeno)phenyl)carbamoyl)benzamido)benzamido)-1-methyl-, p-toluenesulfonate, mono-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 23625-77-6

System Generated Number

  • 0023625776

Molecular Formulas

Molecular Formula

  • C34-H30-N9-O3.C7-H8-O3-S.C7-H7-O3-S

Molecular Formula Fragments

  • C34-H30-N9-O3
  • C7-H7-O3-S
  • C7-H8-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H29N9O3.2C7H8O3S/c1-43-20-2-3-30(21-43)39-34(46)24-6-4-23(5-7-24)32(44)37-26-12-10-25(11-13-26)33(45)38-27-16-18-29(19-17-27)41-42-40-28-14-8-22(9-15-28)31(35)36;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-21H,1H3,(H6-,35,36,37,38,39,40,41,42,44,45,46);2*2-5H,1H3,(H,8,9,10)

InChIKey

LFMRLNZJDMVMAK-UHFFFAOYSA-N

Smiles

C(c1ccc(C(Nc2ccc(cc2)C(Nc2ccc(\N=N\Nc3ccc(cc3)C(N)=N)cc2)=O)=O)cc1)(Nc1c[n+](ccc1)C)=O.c1c(ccc(c1)S([O-])(=O)=O)C.c1c(ccc(c1)S(O)(=O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 8mg/kg (8mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.