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Substance Name: Hydrazinecarbothioamide, N-(3-methylphenyl)-2-(1-(2,3,4-trihydroxyphenyl)ethylidene)-
RN: 69326-90-5
InChIKey: CIRNNSVSIJTEHI-ZDLGFXPLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N3-O3-S

Molecular Weight

  • 331.3943
 
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Names and Synonyms

Synonyms

  • 4-(3-Tolyl)-1-(2,3,4-trihydroxyacetophenone)-3-thiosemicarbazone
  • Acetophenone, 2,3,4-trihydroxy-, 4-(m-tolyl)-3-thiosemicarbazone
  • N-(3-Methylphenyl)-2-(1-(2,3,4-trihydroxyphenyl)ethylidene)hydrazinecarbothioamide

Systematic Name

  • Hydrazinecarbothioamide, N-(3-methylphenyl)-2-(1-(2,3,4-trihydroxyphenyl)ethylidene)-

Registry Numbers

CAS Registry Number

  • 69326-90-5

System Generated Number

  • 0069326905

Structure Descriptors

InChI

1S/C16H17N3O3S/c1-9-4-3-5-11(8-9)17-16(23)19-18-10(2)12-6-7-13(20)15(22)14(12)21/h3-8,20-22H,1-2H3,(H2,17,19,23)/b18-10-

InChIKey

CIRNNSVSIJTEHI-ZDLGFXPLSA-N

Smiles

Cc1cccc(c1)NC(=S)N/N=C(/C)\c2ccc(c(c2O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Research Communications in Chemical Pathology and Pharmacology. Vol. 22, Pg. 291, 1978.