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Substance Name: Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)-
RN: 72503-07-2
InChIKey: MLSFIVDUCHVLDL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-Cl-F3-N-O3

Molecular Weight

  • 385.7675
 
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Names and Synonyms

Synonym

  • 5-Chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)benzenepropanoic acid

Systematic Name

  • Benzenepropanoic acid, 5-chloro-2-(methyl(3-(trifluoromethyl)benzoyl)amino)-

Registry Numbers

CAS Registry Number

  • 72503-07-2

System Generated Number

  • 0072503072

Structure Descriptors

InChI

1S/C18H15ClF3NO3/c1-23(15-7-6-14(19)10-11(15)5-8-16(24)25)17(26)12-3-2-4-13(9-12)18(20,21)22/h2-4,6-7,9-10H,5,8H2,1H3,(H,24,25)

InChIKey

MLSFIVDUCHVLDL-UHFFFAOYSA-N

Smiles

CN(c1ccc(cc1CCC(=O)O)Cl)C(=O)c2cccc(c2)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1003mg/kg (1003mg/kg)   Journal of Pharmaceutical Sciences. Vol. 71, Pg. 796, 1982.