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Substance Name: Acetoacetic acid, ethyl ester, 3-(thiosemicarbazone)
RN: 1118-76-9
InChIKey: WQKFYGJPNATGJS-WEVVVXLNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H13-N3-O2-S

Molecular Weight

  • 203.265
 
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Names and Synonyms

Synonyms

  • 4-03-00-01535 (Beilstein Handbook Reference)
  • AI3-22966
  • BRN 1788841
  • NSC 710
  • Thiosemicarbazone of ethyl acetylacetate

Systematic Names

  • Acetoacetic acid, ethyl ester, 3-(thiosemicarbazone)
  • Butanoic acid, 3-((aminothioxomethyl)hydrazono)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 1118-76-9

System Generated Number

  • 0001118769

Structure Descriptors

InChI

1S/C7H13N3O2S/c1-3-12-6(11)4-5(2)9-10-7(8)13/h3-4H2,1-2H3,(H3,8,10,13)/b9-5+

InChIKey

WQKFYGJPNATGJS-WEVVVXLNSA-N

Smiles

C(\C(=N\NC(N)=S)C)C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archivum Immunologiae et Therapiae Experimentalis. Vol. 16, Pg. 676, 1968.