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Substance Name: Benzoic acid, 2-((1-oxo-3-(2-thienyl)-2-propenyl)amino)-
RN: 100587-34-6
InChIKey: GERZVEHIQIUMRH-BQYQJAHWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-N-O3-S

Molecular Weight

  • 273.3109
 
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Names and Synonyms

Synonyms

  • 2-((1-Oxo-3-(2-thienyl)-2-propenyl)amino)benzoic acid
  • 2-(3-(2-Thienyl)acrylamido)benzoic acid

Systematic Name

  • Benzoic acid, 2-((1-oxo-3-(2-thienyl)-2-propenyl)amino)-

Registry Numbers

CAS Registry Number

  • 100587-34-6

System Generated Number

  • 0100587346

Structure Descriptors

InChI

1S/C14H11NO3S/c16-13(8-7-10-4-3-9-19-10)15-12-6-2-1-5-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)/b8-7+

InChIKey

GERZVEHIQIUMRH-BQYQJAHWSA-N

Smiles

c1ccc(c(c1)C(=O)O)NC(=O)/C=C/c2cccs2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 277mg/kg (277mg/kg)   United States Patent Document. Vol. #5006548,
mouse LD50 oral 400mg/kg (400mg/kg)   United States Patent Document. Vol. #5006548,