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Substance Name: 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-((4-(trifluoromethyl)phenyl)amino)-, ethyl ester
RN: 149221-29-4
InChIKey: KIXRKKVDQHDHDZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-F3-N-O3

Molecular Weight

  • 341.3272
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 149221-29-4

System Generated Number

  • 0149221294

Structure Descriptors

InChI

1S/C17H18F3NO3/c1-3-24-16(23)15-10(2)8-13(9-14(15)22)21-12-6-4-11(5-7-12)17(18,19)20/h4-7,9-10,15,21H,3,8H2,1-2H3

InChIKey

KIXRKKVDQHDHDZ-UHFFFAOYSA-N

Smiles

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