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Substance Name: Benzoic acid, 2-((2,3-dimethylphenyl)thio)- (9CI)
RN: 58844-67-0
InChIKey: IUHMFGGYIMDALM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-O2-S

Molecular Weight

  • 258.34
 
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Names and Synonyms

Synonyms

  • 2-((2,3-Dimethylphenyl)thio)benzoic acid
  • BRN 2122350
  • o-((2,3-Xylyl)thio)benzoic acid

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 58844-67-0

System Generated Number

  • 0058844670

Structure Descriptors

InChI

1S/C15H14O2S/c1-10-6-5-9-13(11(10)2)18-14-8-4-3-7-12(14)15(16)17/h3-9H,1-2H3,(H,16,17)

InChIKey

IUHMFGGYIMDALM-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(O)=O)Sc1c(c(ccc1)C)C

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.