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Substance Name: Butanoic acid, 4-((4-ethoxyphenyl)amino)-4-oxo-, compd. with 4,5-dihydro-2-thiazolamine (1:1)
RN: 171088-75-8
InChIKey: OWEMRYFJDDJFRG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N-O4.C3-H6-N2-S

Molecular Weight

  • 339.4139
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 171088-75-8

System Generated Number

  • 0171088758

Molecular Formulas

Molecular Formula

  • C12-H15-N-O4.C3-H6-N2-S

Molecular Formula Fragments

  • C12-H15-N-O4
  • C3-H6-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C12H15NO4.C3H6N2S/c1-2-17-10-5-3-9(4-6-10)13-11(14)7-8-12(15)16;4-3-5-1-2-6-3/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16);1-2H2,(H2,4,5)

InChIKey

OWEMRYFJDDJFRG-UHFFFAOYSA-N

Smiles

CCOc1ccc(cc1)NC(=O)CCC(=O)O.C1CSC(=N1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 585mg/kg (585mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 262, 1995.