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Substance Name: 2-Butenamide, N-methyl-3-(3-(trifluoromethyl)phenyl)-
RN: 93040-65-4
InChIKey: OTKWRQOJOVOVPM-VURMDHGXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-F3-N-O

Molecular Weight

  • 243.2268
 
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Names and Synonyms

Synonyms

  • BRN 6512241
  • N-Methyl-3-(3-(trifluoromethyl)phenyl)-2-butenamide

Systematic Name

  • 2-Butenamide, N-methyl-3-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 93040-65-4

System Generated Number

  • 0093040654

Structure Descriptors

InChI

1S/C12H12F3NO/c1-8(6-11(17)16-2)9-4-3-5-10(7-9)12(13,14)15/h3-7H,1-2H3,(H,16,17)/b8-6-

InChIKey

OTKWRQOJOVOVPM-VURMDHGXSA-N

Smiles

C/C(=C/C(=O)NC)/c1cccc(c1)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal > 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 28, 1985.