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Substance Name: Add 196022
RN: 142458-16-0
InChIKey: XFETUZOSYZRHMX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-Cl-N-O3

Molecular Weight

  • 293.748
 
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Names and Synonyms

Name of Substance

  • ADD 196022

Synonyms

  • ADD 196022
  • BRN 5441537
  • Methyl 4-((4-chlorophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate
  • Methyl 4-((p-chlorophenyl)amino)-6-methyl-2-oxocyclohex-3-en-1-oate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 142458-16-0

System Generated Number

  • 0142458160

Structure Descriptors

InChI

1S/C15H16ClNO3/c1-9-7-12(8-13(18)14(9)15(19)20-2)17-11-5-3-10(16)4-6-11/h3-6,8-9,14,17H,7H2,1-2H3

InChIKey

XFETUZOSYZRHMX-UHFFFAOYSA-N

Smiles

C1([C@@H]([C@@H](CC(=C1)Nc1ccc(cc1)Cl)C)C(=O)OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 380mg/kg (380mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 1947, 1993.
rat LDLo intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 1947, 1993.