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Substance Name: Benzenesulfonic acid, 5-(((3,4-dimethylphenyl)sulfonyl)oxy)-2-hydroxy-, compd. with piperazine (1:1)
RN: 59687-52-4
InChIKey: OLSBUFUIPWAZJE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-O7-S2.C4-H10-N2

Molecular Weight

  • 444.5266
 
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Names and Synonyms

Synonym

  • 5-(((3,4-Dimethylphenyl)sulfonyl)oxy)-2-hydroxybenzenesulfonic acid compd. with piperazine

Systematic Name

  • Benzenesulfonic acid, 5-(((3,4-dimethylphenyl)sulfonyl)oxy)-2-hydroxy-, compd. with piperazine (1:1)

Registry Numbers

CAS Registry Number

  • 59687-52-4

System Generated Number

  • 0059687524

Molecular Formulas

Molecular Formula

  • C14-H14-O7-S2.C4-H10-N2

Molecular Formula Fragments

  • C14-H14-O7-S2
  • C4-H10-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C14H14O7S2.C4H10N2/c1-9-3-5-12(7-10(9)2)23(19,20)21-11-4-6-13(15)14(8-11)22(16,17)18;1-2-6-4-3-5-1/h3-8,15H,1-2H3,(H,16,17,18);5-6H,1-4H2

InChIKey

OLSBUFUIPWAZJE-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1C)S(=O)(=O)Oc2ccc(c(c2)S(=O)(=O)O)O.C1CNCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 12gm/kg (12000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 43, 1976.