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Substance Name: Quinolinium, 1-butyl-6-(p-(p-((1-butylquinolinium-6-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
RN: 19056-04-3
InChIKey: HMOFOWWDEZRKDY-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C41-H41-N5-O3.2C7-H7-O3-S

Molecular Weight

  • 994.198
 
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Names and Synonyms

  • Quinolinium, 1-butyl-6-(p-(p-((1-butylquinolinium-6-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19056-04-3

System Generated Number

  • 0019056043

Molecular Formulas

Molecular Formula

  • C41-H41-N5-O3.2C7-H7-O3-S

Molecular Formula Fragments

  • C41-H41-N5-O3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C41H39N5O3.2C7H8O3S/c1-3-5-23-45-25-7-9-32-27-35(19-21-37(32)45)43-40(48)30-13-11-29(12-14-30)39(47)42-34-17-15-31(16-18-34)41(49)44-36-20-22-38-33(28-36)10-8-26-46(38)24-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-22,25-28H,3-6,23-24H2,1-2H3,(H-2,42,43,44,47,48,49);2*2-5H,1H3,(H,8,9,10)

InChIKey

HMOFOWWDEZRKDY-UHFFFAOYSA-N

Smiles

[n+]1(CCCC)cccc2cc(NC(c3ccc(NC(c4ccc(C(Nc5cc6ccc[n+](CCCC)c6cc5)=O)cc4)=O)cc3)=O)ccc12.c1(ccc(cc1)C)S(=O)(=O)[O-].c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.