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Substance Name: Benzenesulfonic acid, 5-(((4-chlorophenyl)sulfonyl)oxy)-2-hydroxy-, compd. with piperazine (1:1)
RN: 59687-50-2
InChIKey: QIWRQFWVRNWXRY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H9-Cl-O7-S2.C4-H10-N2

Molecular Weight

  • 450.9181
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 59687-50-2

System Generated Number

  • 0059687502

Molecular Formulas

Molecular Formula

  • C12-H9-Cl-O7-S2.C4-H10-N2

Molecular Formula Fragments

  • C12-H9-Cl-O7-S2
  • C4-H10-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C12H9ClO7S2.C4H10N2/c13-8-1-4-10(5-2-8)22(18,19)20-9-3-6-11(14)12(7-9)21(15,16)17;1-2-6-4-3-5-1/h1-7,14H,(H,15,16,17);5-6H,1-4H2

InChIKey

QIWRQFWVRNWXRY-UHFFFAOYSA-N

Smiles

c1cc(ccc1S(=O)(=O)Oc2ccc(c(c2)S(=O)(=O)O)O)Cl.C1CNCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 9600mg/kg (9600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 43, 1976.