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Substance Name: 1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-N-methyl-4-(3-(trifluoromethyl)phenyl)-
RN: 80712-28-3
InChIKey: ALDFCNYPDLHSFQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-F3-N4-O2

Molecular Weight

  • 358.3619
 
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Names and Synonyms

Synonyms

  • 1-(m-Trifluoromethylphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine
  • N-((Dimethylamino)carbonyl)-N-methyl-4-(3-(trifluoromethyl)phenyl)-1-piperazinecarboxamide

Systematic Name

  • 1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-N-methyl-4-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 80712-28-3

System Generated Number

  • 0080712283

Structure Descriptors

InChI

1S/C16H21F3N4O2/c1-20(2)14(24)21(3)15(25)23-9-7-22(8-10-23)13-6-4-5-12(11-13)16(17,18)19/h4-6,11H,7-10H2,1-3H3

InChIKey

ALDFCNYPDLHSFQ-UHFFFAOYSA-N

Smiles

CN(C)C(=O)N(C)C(=O)N1CCN(CC1)c2cccc(c2)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 715mg/kg (715mg/kg)   United States Patent Document. Vol. #4666911,