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Substance Name: Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)- (9CI)
RN: 58844-75-0
InChIKey: ADTDTEOEJQZOKN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-O4-S

Molecular Weight

  • 290.338
 
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Names and Synonyms

Synonyms

  • 2-((2,3-Dimethylphenyl)sulfonyl)benzoic acid
  • BRN 2139219
  • o-((2,3-Xylyl)sulfonyl)benzoic acid

Systematic Names

  • Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)- (9CI)
  • Benzoic acid, o-((2,3-xylyl)sulfonyl)-

Registry Numbers

CAS Registry Number

  • 58844-75-0

System Generated Number

  • 0058844750

Structure Descriptors

InChI

1S/C15H14O4S/c1-10-6-5-9-13(11(10)2)20(18,19)14-8-4-3-7-12(14)15(16)17/h3-9H,1-2H3,(H,16,17)

InChIKey

ADTDTEOEJQZOKN-UHFFFAOYSA-N

Smiles

c1(S(c2c(c(ccc2)C)C)(=O)=O)c(cccc1)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 798, 1976.