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Substance Name: Isoniazid pyruvate
RN: 1081-50-1
UNII: 5J3GMG27SA
InChIKey: ZGGPNDKKJIWQJU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H9-N3-O3

Molecular Weight

  • 207.1881
 
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Names and Synonyms

Name of Substance

  • Isoniazid pyruvate

Synonyms

  • 4-Pyridinecarboxylic acid, (1-carboxyethylidene)hydrazide
  • 5-22-02-00252 (Beilstein Handbook Reference)
  • BRN 0185611
  • Isonicotinoylhydrazonopyruvic acid
  • L 1011
  • NSC 97221
  • UNII-5J3GMG27SA

Systematic Names

  • 4-Pyridinecarboxylic acid, (1-carboxyethylidene)hydrazide (9CI)
  • Isonicotinic acid, (1-carboxyethylidene)hydrazide

Registry Numbers

CAS Registry Number

  • 1081-50-1

FDA UNII

  • 5J3GMG27SA

System Generated Number

  • 0001081501

Structure Descriptors

InChI

1S/C9H9N3O3/c1-6(9(14)15)11-12-8(13)7-2-4-10-5-3-7/h2-5H,1H3,(H,12,13)(H,14,15)

InChIKey

ZGGPNDKKJIWQJU-UHFFFAOYSA-N

Smiles

CC(=NNC(=O)c1ccncc1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 515mg/kg (515mg/kg)   Gazzetta Chimica Italiana. Vol. 82, Pg. 652, 1952.
mouse LD50 oral 1040mg/kg (1040mg/kg)   Gazzetta Chimica Italiana. Vol. 82, Pg. 652, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.300 (none)   EST
Water Solubility 100 mg/L 20 EXP
Atmospheric OH Rate Constant 6.52E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.