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Substance Name: Benzenesulfonic acid, 2,5-bis(benzoyloxy)-, compd. with piperazine (2:1)
RN: 55779-24-3
InChIKey: JWVNDYNPYZYZNM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H28-O14-S2.C4-H10-N2

Molecular Weight

  • 882.9162
 
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Names and Synonyms

Synonym

  • 2,5-Bis(benzoyloxy)benzenesulfonic acid compd. with piperazine (2:1)

Systematic Name

  • Benzenesulfonic acid, 2,5-bis(benzoyloxy)-, compd. with piperazine (2:1)

Registry Numbers

CAS Registry Number

  • 55779-24-3

System Generated Number

  • 0055779243

Molecular Formulas

Molecular Formula

  • C40-H28-O14-S2.C4-H10-N2

Molecular Formula Fragments

  • C4-H10-N2
  • C40-H28-O14-S2
  • COMPONENT

Structure Descriptors

InChI

1S/2C20H14O7S.C4H10N2/c2*21-19(14-7-3-1-4-8-14)26-16-11-12-17(18(13-16)28(23,24)25)27-20(22)15-9-5-2-6-10-15;1-2-6-4-3-5-1/h2*1-13H,(H,23,24,25);5-6H,1-4H2

InChIKey

JWVNDYNPYZYZNM-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)Oc2ccc(c(c2)S(=O)(=O)O)OC(=O)c3ccccc3.c1ccc(cc1)C(=O)Oc2ccc(c(c2)S(=O)(=O)O)OC(=O)c3ccccc3.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.