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Substance Name: 3-Cyclohexene-1-carboxylic acid, 4-((4-ethylphenyl)amino)-6-methyl-2-oxo-, methyl ester
RN: 142458-15-9
InChIKey: JUSHIWVTRFXHCW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N-O3

Molecular Weight

  • 287.3569
 
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Names and Synonyms

Synonyms

  • BRN 5441426
  • Methyl 4-((4-ethylphenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate

Systematic Name

  • 3-Cyclohexene-1-carboxylic acid, 4-((4-ethylphenyl)amino)-6-methyl-2-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 142458-15-9

System Generated Number

  • 0142458159

Structure Descriptors

InChI

1S/C17H21NO3/c1-4-12-5-7-13(8-6-12)18-14-9-11(2)16(15(19)10-14)17(20)21-3/h5-8,10-11,16,18H,4,9H2,1-3H3

InChIKey

JUSHIWVTRFXHCW-UHFFFAOYSA-N

Smiles

CCc1ccc(cc1)NC2=CC(=O)C(C(C2)C)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 750mg/kg (750mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 1947, 1993.
rat LD intraperitoneal > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 1947, 1993.