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Substance Name: 3-Pyridinecarboxamide, N-(1-hydroxy-2-oxo-2-(4-(phenylthio)phenyl)ethyl)-
RN: 42069-31-8
InChIKey: FQKSZRIFSDTCHI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H16-N2-O3-S

Molecular Weight

  • 364.4234
 
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Names and Synonyms

Synonyms

  • 4-(Phenylthio)phenylglyoxal nicotinamido-hemiacetal
  • 5-22-02-00095 (Beilstein Handbook Reference)
  • BRN 0440873
  • N-(1-Hydroxy-2-oxo-2-(4-(phenylthio)phenyl)ethyl)-3-pyridinecarboxamide

Systematic Name

  • 3-Pyridinecarboxamide, N-(1-hydroxy-2-oxo-2-(4-(phenylthio)phenyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 42069-31-8

System Generated Number

  • 0042069318

Structure Descriptors

InChI

1S/C20H16N2O3S/c23-18(20(25)22-19(24)15-5-4-12-21-13-15)14-8-10-17(11-9-14)26-16-6-2-1-3-7-16/h1-13,20,25H,(H,22,24)

InChIKey

FQKSZRIFSDTCHI-UHFFFAOYSA-N

Smiles

c1ccc(cc1)Sc2ccc(cc2)C(=O)C(NC(=O)c3cccnc3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 575, 1973.