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Substance Name: Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, 3,4,5-trimethoxybenzoate
RN: 73927-53-4
InChIKey: GZHNTHZSWBYEDJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-F3-N-O5

Molecular Weight

  • 441.443
 
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Names and Synonyms

Synonyms

  • 2-(alpha-Methyl-m-trifluoromethylphenethylamino)ethanol 3,4,5-trimethoxybenzoate
  • N-(2-Hydroxyethyl)-alpha-methyl-m-trifluoromethylphenethylamine 3,4,5-trimethoxybenzoate
  • Phenethylamine, N-(2-hydroxyethyl)-alpha-methyl-m-trifluoromethyl-, 3,4,5-trimethoxybenzoate

Systematic Name

  • Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, 3,4,5-trimethoxybenzoate

Registry Numbers

CAS Registry Number

  • 73927-53-4

System Generated Number

  • 0073927534

Structure Descriptors

InChI

1S/C22H26F3NO5/c1-14(10-15-6-5-7-17(11-15)22(23,24)25)26-8-9-31-21(27)16-12-18(28-2)20(30-4)19(13-16)29-3/h5-7,11-14,26H,8-10H2,1-4H3

InChIKey

GZHNTHZSWBYEDJ-UHFFFAOYSA-N

Smiles

c1(cc(c(OC)c(c1)OC)OC)C(OCCN[C@@H](Cc1cc(ccc1)C(F)(F)F)C)=O

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.