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Substance Name: 3-Cyclohexene-1-carboxylic acid, 6-methyl-4-((4-methylphenyl)amino)-2-oxo-, ethyl ester
RN: 149221-23-8
InChIKey: OIMCHAPNVXTGQK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N-O3

Molecular Weight

  • 287.3569
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 149221-23-8

System Generated Number

  • 0149221238

Structure Descriptors

InChI

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

InChIKey

OIMCHAPNVXTGQK-UHFFFAOYSA-N

Smiles

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