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Substance Name: 3-Cyclohexene-1-carboxylic acid, 4-((4-(1,1-dimethylethyl)phenyl)amino)-6-methyl-2-oxo-, ethyl ester
RN: 149221-28-3
InChIKey: PUPWCJYDJOXREI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N-O3

Molecular Weight

  • 329.4373
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 149221-28-3

System Generated Number

  • 0149221283

Structure Descriptors

InChI

1S/C20H27NO3/c1-6-24-19(23)18-13(2)11-16(12-17(18)22)21-15-9-7-14(8-10-15)20(3,4)5/h7-10,12-13,18,21H,6,11H2,1-5H3

InChIKey

PUPWCJYDJOXREI-UHFFFAOYSA-N

Smiles

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