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Substance Name: Butanoic acid, 4-((3-nitrophenyl)amino)-4-oxo-, compd. with 4,5-dihydro-2-thiazolamine (1:1)
RN: 171088-76-9
InChIKey: HJWYRDHFJAZZCX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-N2-O5.C3-H6-N2-S

Molecular Weight

  • 340.3584
 
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Names and Synonyms

Synonym

  • 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1)

Systematic Name

  • Butanoic acid, 4-((3-nitrophenyl)amino)-4-oxo-, compd. with 4,5-dihydro-2-thiazolamine (1:1)

Registry Numbers

CAS Registry Number

  • 171088-76-9

System Generated Number

  • 0171088769

Molecular Formulas

Molecular Formula

  • C10-H10-N2-O5.C3-H6-N2-S

Molecular Formula Fragments

  • C10-H10-N2-O5
  • C3-H6-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C10H10N2O5.C3H6N2S/c13-9(4-5-10(14)15)11-7-2-1-3-8(6-7)12(16)17;4-3-5-1-2-6-3/h1-3,6H,4-5H2,(H,11,13)(H,14,15);1-2H2,(H2,4,5)

InChIKey

HJWYRDHFJAZZCX-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)[N+](=O)[O-])NC(=O)CCC(=O)O.C1CSC(=N1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 516mg/kg (516mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 262, 1995.