Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzenesulfonic acid, 2,5-bis((methylsulfonyl)oxy)-, compd. with piperazine (1:1)
RN: 59687-25-1
InChIKey: DYACBXXDFPHBPL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H10-O9-S3.C4-H10-N2

Molecular Weight

  • 432.493
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59687-25-1

System Generated Number

  • 0059687251

Molecular Formulas

Molecular Formula

  • C8-H10-O9-S3.C4-H10-N2

Molecular Formula Fragments

  • C4-H10-N2
  • C8-H10-O9-S3
  • COMPONENT

Structure Descriptors

InChI

1S/C8H10O9S3.C4H10N2/c1-18(9,10)16-6-3-4-7(17-19(2,11)12)8(5-6)20(13,14)15;1-2-6-4-3-5-1/h3-5H,1-2H3,(H,13,14,15);5-6H,1-4H2

InChIKey

DYACBXXDFPHBPL-UHFFFAOYSA-N

Smiles

CS(=O)(=O)Oc1ccc(c(c1)S(=O)(=O)O)OS(=O)(=O)C.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.