Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3,4-Xylenesulfonic acid, 6-(p-toluoyl)-, sodium salt
RN: 98257-39-7
InChIKey: OWAGGBGLAWCIEI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-O4-S.Na

Molecular Weight

  • 326.3465
 
* 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

Synonyms

  • 6-(p-Toluoyl)-3,4-xylenesulfonic acid sodium salt
  • Benzenesulfonic acid, 4,5-dimethyl-2-(4-methylbenzoyl)-, sodium salt

Systematic Name

  • 3,4-Xylenesulfonic acid, 6-(p-toluoyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 98257-39-7

System Generated Number

  • 0098257397

Molecular Formulas

Molecular Formula

  • C16-H15-O4-S.Na

Molecular Formula Fragments

  • C16-H15-O4-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H16O4S.Na/c1-10-4-6-13(7-5-10)16(17)14-8-11(2)12(3)9-15(14)21(18,19)20;/h4-9H,1-3H3,(H,18,19,20);/q;+1/p-1

InChIKey

OWAGGBGLAWCIEI-UHFFFAOYSA-M

Smiles

Cc1ccc(cc1)C(=O)c2cc(c(cc2S(=O)(=O)[O-])C)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 326, 1985.