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Substance Name: Benzenesulfonic acid, 5-((((4-butoxyphenyl)amino)thioxomethyl)amino)-2-methoxy-, monosodium salt
RN: 22938-55-2
InChIKey: CXOFQUZLIPRLKC-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N2-O5-S2.Na

Molecular Weight

  • 432.495
 
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Names and Synonyms

  • Benzenesulfonic acid, 5-((((4-butoxyphenyl)amino)thioxomethyl)amino)-2-methoxy-, monosodium salt
  • Metanilic acid, N-((p-butoxyphenyl)thiocarbamoyl)-6-methoxy-, monosodium salt (8CI)

Registry Numbers

CAS Registry Number

  • 22938-55-2

System Generated Number

  • 0022938552

Molecular Formulas

Molecular Formula

  • C18-H21-N2-O5-S2.Na

Molecular Formula Fragments

  • C18-H21-N2-O5-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H22N2O5S2.Na/c1-3-4-11-25-15-8-5-13(6-9-15)19-18(26)20-14-7-10-16(24-2)17(12-14)27(21,22)23;/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,26)(H,21,22,23);/q;+1/p-1

InChIKey

CXOFQUZLIPRLKC-UHFFFAOYSA-M

Smiles

[Na+].c1(c(ccc(c1)NC(=S)Nc1ccc(cc1)OCCCC)OC)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 6, Pg. 86, 1972.