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Substance Name: Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate
RN: 62064-67-9
InChIKey: SPXOPIMGAZEYQY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-F3-N.C-H4-O3-S

Molecular Weight

  • 389.4358
 
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Names and Synonyms

Synonyms

  • Benzeneethanamine, alpha-methyl-N-(phenylmethyl)-3-(trifluoromethyl)-, methanesulfonate
  • N-Benzyl-alpha-methyl-m-trifluoromethylphenethylamine methanesulfonate

Systematic Name

  • Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-, methanesulfonate

Registry Numbers

CAS Registry Number

  • 62064-67-9

System Generated Number

  • 0062064679

Molecular Formulas

Molecular Formula

  • C17-H18-F3-N.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C17-H18-F3-N
  • COMPONENT

Structure Descriptors

InChI

1S/C17H18F3N.CH4O3S/c1-13(21-12-14-6-3-2-4-7-14)10-15-8-5-9-16(11-15)17(18,19)20;1-5(2,3)4/h2-9,11,13,21H,10,12H2,1H3;1H3,(H,2,3,4)

InChIKey

SPXOPIMGAZEYQY-UHFFFAOYSA-N

Smiles

CC(Cc1cccc(c1)C(F)(F)F)NCc2ccccc2.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 300mg/kg (300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 116, 1977.