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Substance Name: Benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt
RN: 57772-61-9
InChIKey: VJWZDXWPUCPBCO-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H22-O14-S4.Ca

Molecular Weight

  • 726.7878
 
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Names and Synonyms

Synonym

  • 2,5-Dihydroxy-4-((4-methylphenyl)sulfonyl)benzenesulfonic acid calcium salt

Systematic Name

  • Benzenesulfonic acid, 2,5-dihydroxy-4-((4-methylphenyl)sulfonyl)-, calcium salt

Registry Numbers

CAS Registry Number

  • 57772-61-9

System Generated Number

  • 0057772619

Molecular Formulas

Molecular Formula

  • C26-H22-O14-S4.Ca

Molecular Formula Fragments

  • C26-H22-O14-S4
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C13H12O7S2.Ca/c2*1-8-2-4-9(5-3-8)21(16,17)12-6-11(15)13(7-10(12)14)22(18,19)20;/h2*2-7,14-15H,1H3,(H,18,19,20);/q;;+2/p-2

InChIKey

VJWZDXWPUCPBCO-UHFFFAOYSA-L

Smiles

Cc1ccc(cc1)S(=O)(=O)c2cc(c(cc2O)S(=O)(=O)[O-])O.Cc1ccc(cc1)S(=O)(=O)c2cc(c(cc2O)S(=O)(=O)[O-])O.[Ca+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 15gm/kg (15000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 43, 1976.