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Substance Name: Benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, compd. with N-ethylethanamine (1:1)
RN: 51579-76-1
InChIKey: WSYTUOGQZQWLTE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-O7-S2.C4-H11-N

Molecular Weight

  • 417.5007
 
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Names and Synonyms

Synonyms

  • 2,5-Dihydroxy-4-sulfo-4'-methyldiphenylsulfone, sel de diethylamine
  • 2,5-Dihydroxy-4-sulfo-4'-methyldiphenylsulfone, sel de diethylamine [French]

Systematic Name

  • Benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, compd. with N-ethylethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 51579-76-1

System Generated Number

  • 0051579761

Molecular Formulas

Molecular Formula

  • C13-H12-O7-S2.C4-H11-N

Molecular Formula Fragments

  • C13-H12-O7-S2
  • C4-H11-N
  • COMPONENT

Structure Descriptors

InChI

1S/C13H12O7S2.C4H11N/c1-8-2-4-9(5-3-8)21(16,17)12-6-11(15)13(7-10(12)14)22(18,19)20;1-3-5-4-2/h2-7,14-15H,1H3,(H,18,19,20);5H,3-4H2,1-2H3

InChIKey

WSYTUOGQZQWLTE-UHFFFAOYSA-N

Smiles

CCNCC.Cc1ccc(cc1)S(=O)(=O)c2cc(c(cc2O)S(=O)(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   French Demande Patent Document. Vol. #2249654,