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Substance Name: Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate
RN: 68967-23-7
InChIKey: NLFOKGPKVYGDNM-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C41-H47-N5-O3.2C7-N7-O3-S

Molecular Weight

  • 1000.2449
 
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Names and Synonyms

  • Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 68967-23-7

System Generated Number

  • 0068967237

Molecular Formulas

Molecular Formula

  • C41-H47-N5-O3.2C7-N7-O3-S

Molecular Formula Fragments

  • C41-H47-N5-O3
  • C7-N7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C41H45N5O3.2C7H8O3S/c1-3-5-7-9-25-45-26-12-14-37(30-45)44-41(49)33-19-21-35(22-20-33)42-39(47)31-15-17-32(18-16-31)40(48)43-36-23-24-38-34(29-36)13-11-28-46(38)27-10-8-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h11-24,26,28-30H,3-10,25,27H2,1-2H3,(H-2,42,43,44,47,48,49);2*2-5H,1H3,(H,8,9,10)

InChIKey

NLFOKGPKVYGDNM-UHFFFAOYSA-N

Smiles

CCCCCC[n+]1cccc(c1)NC(=O)c2ccc(cc2)NC(=O)c3ccc(cc3)C(=O)Nc4ccc5c(c4)ccc[n+]5CCCCCC.Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.