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Substance Name: 1-Octanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-, methanesulfonate
RN: 71798-54-4
InChIKey: WYMCYXSWPGTQQP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H33-N3-O3-S.C-H4-O3-S

Molecular Weight

  • 587.758
 
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Names and Synonyms

Synonym

  • 4'-(9-Acridinylamino)-3'-methoxy-1-octanesulfonanilide methanesulfonate

Systematic Name

  • 1-Octanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-, methanesulfonate

Registry Numbers

CAS Registry Number

  • 71798-54-4

System Generated Number

  • 0071798544

Molecular Formulas

Molecular Formula

  • C28-H33-N3-O3-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C28-H33-N3-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C28H33N3O3S.CH4O3S/c1-3-4-5-6-7-12-19-35(32,33)31-21-17-18-26(27(20-21)34-2)30-28-22-13-8-10-15-24(22)29-25-16-11-9-14-23(25)28;1-5(2,3)4/h8-11,13-18,20,31H,3-7,12,19H2,1-2H3,(H,29,30);1H3,(H,2,3,4)

InChIKey

WYMCYXSWPGTQQP-UHFFFAOYSA-N

Smiles

c1(c2c(nc3ccccc13)cccc2)[NH+]c1c(cc(NS(CCCCCCCC)(=O)=O)cc1)OC.S(C)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 45mg/kg (45mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 1453, 1979.