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Substance Name: 2-Pyridinecarboxylic acid, 3-((3-(acetylthio)-2-methyl-1-oxopropyl)amino)-
RN: 100637-33-0
InChIKey: VTWPSLSBLUXLHO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-N2-O4-S

Molecular Weight

  • 282.3186
 
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Names and Synonyms

Synonyms

  • 3-((3-(Acetylthio)-2-methyl-1-oxopropyl)amino)-2-pyridinecarboxylic acid
  • 3-(2-Acetylthiomethylpropionamido)picolinic acid
  • RTECS UX8555000

Systematic Name

  • 2-Pyridinecarboxylic acid, 3-((3-(acetylthio)-2-methyl-1-oxopropyl)amino)-

Registry Numbers

CAS Registry Number

  • 100637-33-0

System Generated Number

  • 0100637330

Structure Descriptors

InChI

1S/C12H14N2O4S/c1-7(6-19-8(2)15)11(16)14-9-4-3-5-13-10(9)12(17)18/h3-5,7H,6H2,1-2H3,(H,14,16)(H,17,18)

InChIKey

VTWPSLSBLUXLHO-UHFFFAOYSA-N

Smiles

CC(CSC(=O)C)C(=O)Nc1cccnc1C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 421mg/kg (421mg/kg)   United States Patent Document. Vol. #4528296,