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Substance Name: Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-isobutylbenzoate
RN: 73927-42-1
InChIKey: XFNKOEGGWOUCMI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-F3-N-O2

Molecular Weight

  • 407.473
 
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Names and Synonyms

Synonyms

  • 2-(alpha-Methyl-m-trifluoromethylphenethylamino)ethanol p-isobutylbenzoate
  • N-(2-Hydroxyethyl)-alpha-methyl-m-trifluoromethylphenethylamine p-isobutylbenzoate
  • Phenethylamine, N-(2-hydroxyethyl)-alpha-methyl-m-trifluoromethyl-, p-isobutylbenzoate

Systematic Name

  • Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, p-isobutylbenzoate

Registry Numbers

CAS Registry Number

  • 73927-42-1

System Generated Number

  • 0073927421

Structure Descriptors

InChI

1S/C23H28F3NO2/c1-16(2)13-18-7-9-20(10-8-18)22(28)29-12-11-27-17(3)14-19-5-4-6-21(15-19)23(24,25)26/h4-10,15-17,27H,11-14H2,1-3H3

InChIKey

XFNKOEGGWOUCMI-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C(F)(F)F)C[C@@H](NCCOC(c1ccc(CC(C)C)cc1)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   "International Symposium on Amphetamines and Related Compounds, Proceedings, Mario Negri Institute for Pharmacological Research, Milan, 1969," Costa, E., and S. Garattini, eds., New York, Raven Press, 1970Vol. -, Pg. 21, 1970.