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Substance Name: Isonicotinaldehyde thiosemicarbazone
RN: 1200-00-6
InChIKey: QTSJJDIDTYFLFC-YHYXMXQVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H8-N4-S

Molecular Weight

  • 180.234
 
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Names and Synonyms

Synonyms

  • 4-Formylpyridine thiosemicarbazone
  • 4-Pyridylcarboxaldehyde thiosemicarbazone
  • 5-21-07-00360 (Beilstein Handbook Reference)
  • AI3-52028
  • BRN 0132697
  • EINECS 214-848-6
  • G 527
  • NSC 731
  • Pyridine-4-carboxaldehyde thiosemicarbazone

Systematic Names

  • Hydrazinecarbothioamide, 2-(4-pyridinylmethylene)-
  • Isonicotinaldehyde thiosemicarbazone

Registry Numbers

CAS Registry Number

  • 1200-00-6

System Generated Number

  • 0001200006

Structure Descriptors

InChI

1S/C7H8N4S/c8-7(12)11-10-5-6-1-3-9-4-2-6/h1-5H,(H3,8,11,12)/b10-5-

InChIKey

QTSJJDIDTYFLFC-YHYXMXQVSA-N

Smiles

c1(\C=N/NC(N)=S)ccncc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01772,
mouse LD50 oral 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 676, 1965.