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Substance Name: 3-Pyridinecarboxamide, N-(1-hydroxy-2-(4-nitrophenyl)-2-oxoethyl)-
RN: 42069-28-3
InChIKey: HFQUOZZDVLNHKN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-N3-O5

Molecular Weight

  • 301.2569
 
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Names and Synonyms

Synonyms

  • 4-Nitrophenylglyoxal nicotinamido-hemiacetal
  • 5-22-02-00095 (Beilstein Handbook Reference)
  • BRN 0434309
  • N-(1-Hydroxy-2-(4-nitrophenyl)-2-oxoethyl)-3-pyridinecarboxamide

Systematic Name

  • 3-Pyridinecarboxamide, N-(1-hydroxy-2-(4-nitrophenyl)-2-oxoethyl)-

Registry Numbers

CAS Registry Number

  • 42069-28-3

System Generated Number

  • 0042069283

Structure Descriptors

InChI

1S/C14H11N3O5/c18-12(9-3-5-11(6-4-9)17(21)22)14(20)16-13(19)10-2-1-7-15-8-10/h1-8,14,20H,(H,16,19)

InChIKey

HFQUOZZDVLNHKN-UHFFFAOYSA-N

Smiles

c1cc(cnc1)C(=O)NC(C(=O)c2ccc(cc2)[N+](=O)[O-])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.