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Substance Name: Quinolinium, 1,8-dimethyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate
RN: 50425-34-8
InChIKey: WYWWRCNCCRWKTB-UHFFFAOYSA-P

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C30-H29-N5-O.2C7-H7-O3-S

Molecular Weight

  • 819.9995
 
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Names and Synonyms

  • Quinolinium, 1,8-dimethyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 50425-34-8

System Generated Number

  • 0050425348

Molecular Formulas

Molecular Formula

  • C30-H29-N5-O.2C7-H7-O3-S

Molecular Formula Fragments

  • C30-H29-N5-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C30H27N5O.2C7H8O3S/c1-21-5-4-6-27-28(17-20-35(3)29(21)27)32-24-9-7-22(8-10-24)30(36)33-25-13-11-23(12-14-25)31-26-15-18-34(2)19-16-26;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-20H,1-3H3,(H,33,36);2*2-5H,1H3,(H,8,9,10)/p+2

InChIKey

WYWWRCNCCRWKTB-UHFFFAOYSA-P

Smiles

Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1cccc2c1[n+](ccc2Nc3ccc(cc3)C(=O)Nc4ccc(cc4)Nc5cc[n+](cc5)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 60mg/kg (60mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.