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Substance Name: Phenethylamine, N-(4-(p-fluorophenyl)-4-phenyl-3-butenyl)-N-methyl-, maleate (1:1)
RN: 4071-31-2
InChIKey: ROSDPCHZTAXTPY-JWLDIMBLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H26-F-N.C4-H4-O4

Molecular Weight

  • 475.557
 
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Names and Synonyms

Synonyms

  • 1-(4-Fluorophenyl)-1-phenyl-4-(N-phenethyl-N-methylamino)-1-butene maleate
  • N-(4-(p-Fluorophenyl)-4-phenyl-3-butenyl)-N-methyl-phenethylamine maleate

Systematic Name

  • Phenethylamine, N-(4-(p-fluorophenyl)-4-phenyl-3-butenyl)-N-methyl-, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 4071-31-2

System Generated Number

  • 0004071312

Molecular Formulas

Molecular Formula

  • C25-H26-F-N.C4-H4-O4

Molecular Formula Fragments

  • C25-H26-F-N
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H26FN.C4H4O4/c1-27(20-18-21-9-4-2-5-10-21)19-8-13-25(22-11-6-3-7-12-22)23-14-16-24(26)17-15-23;5-3(6)1-2-4(7)8/h2-7,9-17H,8,18-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b25-13-;2-1-

InChIKey

ROSDPCHZTAXTPY-JWLDIMBLSA-N

Smiles

C(Cc1ccccc1)[N@@](CC\C=C(\c1ccccc1)c1ccc(cc1)F)C.C(\C=C/C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 836, 1965.