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Substance Name: Benzenesulfonic acid, 2,5-dihydroxy-4-((4-(1,1-dimethylethyl)phenyl)sulfonyl)-, monosodium salt
RN: 59687-71-7
InChIKey: OCHSBRAZNNPTGB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-O7-S2.Na

Molecular Weight

  • 408.4253
 
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Names and Synonyms

Synonym

  • 2,5-Dihydroxy-4-((4-(1,1-dimethylethyl)phenyl)sulfonyl)benzenesulfonic acid sodium salt

Systematic Name

  • Benzenesulfonic acid, 2,5-dihydroxy-4-((4-(1,1-dimethylethyl)phenyl)sulfonyl)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 59687-71-7

System Generated Number

  • 0059687717

Molecular Formulas

Molecular Formula

  • C16-H17-O7-S2.Na

Molecular Formula Fragments

  • C16-H17-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H18O7S2.Na/c1-16(2,3)10-4-6-11(7-5-10)24(19,20)14-8-13(18)15(9-12(14)17)25(21,22)23;/h4-9,17-18H,1-3H3,(H,21,22,23);/q;+1/p-1

InChIKey

OCHSBRAZNNPTGB-UHFFFAOYSA-M

Smiles

CC(C)(C)c1ccc(cc1)S(=O)(=O)c2cc(c(cc2O)S(=O)(=O)[O-])O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 43, 1976.