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Substance Name: Hippuric acid, alpha-isopropylidene
RN: 88612-31-1
InChIKey: KCSDRCJIYNKLJH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N-O2-S

Molecular Weight

  • 235.3057
 
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Names and Synonyms

Synonyms

  • 2-Benzamido-3-methylthio-crotonic acid
  • 4-09-00-00818 (Beilstein Handbook Reference)
  • Benzoylamino-beta,beta-dimethylacrylic thiol acid
  • BRN 3277264
  • Crotonic acid, 2-benzamido-3-methylthio-

Systematic Name

  • Hippuric acid, alpha-isopropylidene

Registry Numbers

CAS Registry Number

  • 88612-31-1

System Generated Number

  • 0088612311

Structure Descriptors

InChI

1S/C12H13NO2S/c1-8(2)10(12(15)16)13-11(14)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14)(H,15,16)

InChIKey

KCSDRCJIYNKLJH-UHFFFAOYSA-N

Smiles

CC(=C(C(=S)O)NC(=O)c1ccccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 800mg/kg (800mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 136, Pg. 452, 1962.