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Substance Name: Benzenesulfonic acid, 2,5-bis(((4-methylphenyl)sulfonyl)oxy)-, compd. with piperazine (2:1)
RN: 59687-67-1
InChIKey: RHLNERYYPXGLRS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H34-Cl2-O18-S6.C4-H10-N2

Molecular Weight

  • 1152.1296
 
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Names and Synonyms

Synonym

  • 2,5-Bis(((4-methylphenyl)sulfonyl)oxy)benzenesulfonic acid compd. with piperazine (2:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59687-67-1

System Generated Number

  • 0059687671

Molecular Formulas

Molecular Formula

  • C40-H34-Cl2-O18-S6.C4-H10-N2

Molecular Formula Fragments

  • C4-H10-N2
  • C40-H34-Cl2-O18-S6
  • COMPONENT

Structure Descriptors

InChI

1S/2C20H17ClO9S3.C4H10N2/c2*1-13-3-7-15(8-4-13)32(25,26)29-18-12-20(31(22,23)24)19(11-17(18)21)30-33(27,28)16-9-5-14(2)6-10-16;1-2-6-4-3-5-1/h2*3-12H,1-2H3,(H,22,23,24);5-6H,1-4H2

InChIKey

RHLNERYYPXGLRS-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)Oc2cc(c(cc2Cl)OS(=O)(=O)c3ccc(cc3)C)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)Oc2cc(c(cc2Cl)OS(=O)(=O)c3ccc(cc3)C)S(=O)(=O)O.C1CNCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 6gm/kg (6000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 43, 1976.