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Substance Name: Butanoic acid, 4-((3-methylphenyl)amino)-4-oxo-, compd. with 4,5-dihydro-2-thiazolamine (1:1)
RN: 171088-72-5
InChIKey: YBJXACNJSCEUHK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N-O3.C3-H6-N2-S

Molecular Weight

  • 309.3881
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 171088-72-5

System Generated Number

  • 0171088725

Molecular Formulas

Molecular Formula

  • C11-H13-N-O3.C3-H6-N2-S

Molecular Formula Fragments

  • C11-H13-N-O3
  • C3-H6-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C11H13NO3.C3H6N2S/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(14)15;4-3-5-1-2-6-3/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15);1-2H2,(H2,4,5)

InChIKey

YBJXACNJSCEUHK-UHFFFAOYSA-N

Smiles

Cc1cccc(c1)NC(=O)CCC(=O)O.C1CSC(=N1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 503mg/kg (503mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 262, 1995.