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Substance Name: Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate
RN: 68772-36-1
InChIKey: IKGPUZDGQFBSGO-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C37-H33-N7-O3.2C7-H7-O3-S

Molecular Weight

  • 966.1043
 
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Names and Synonyms

  • Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 68772-36-1

System Generated Number

  • 0068772361

Molecular Formulas

Molecular Formula

  • C37-H33-N7-O3.2C7-H7-O3-S

Molecular Formula Fragments

  • C37-H33-N7-O3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C37H31N7O3.2C7H8O3S/c1-43-20-3-4-31(23-43)42-37(47)26-9-12-29(13-10-26)40-35(45)24-5-7-25(8-6-24)36(46)41-30-16-14-28(15-17-30)39-33-19-21-44(2)34-18-11-27(38)22-32(33)34;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-23H,38H2,1-2H3,(H2-,40,41,42,45,46,47);2*2-5H,1H3,(H,8,9,10)

InChIKey

IKGPUZDGQFBSGO-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1cccc(c1)NC(=O)c2ccc(cc2)NC(=O)c3ccc(cc3)C(=O)Nc4ccc(cc4)Nc5cc[n+](c6c5cc(cc6)N)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.