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Substance Name: 3-Cyclohexene-1-carboxylic acid, 4-((4-bromophenyl)amino)-6-methyl-2-oxo-, ethyl ester
RN: 149221-21-6
InChIKey: VRSKOJKTDWTSJV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-Br-N-O3

Molecular Weight

  • 352.2262
 
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Names and Synonyms

Synonym

  • Ethyl 4-((4-bromophenyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 149221-21-6

System Generated Number

  • 0149221216

Structure Descriptors

InChI

1S/C16H18BrNO3/c1-3-21-16(20)15-10(2)8-13(9-14(15)19)18-12-6-4-11(17)5-7-12/h4-7,9-10,15,18H,3,8H2,1-2H3

InChIKey

VRSKOJKTDWTSJV-UHFFFAOYSA-N

Smiles

CCOC(=O)C1C(CC(=CC1=O)Nc2ccc(cc2)Br)C

Toxicity

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