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Substance Name: Phenethylamine, N-methyl-N-(2-methyl-3,3-diphenylallyl)-, maleate (1:1)
RN: 4750-94-1
InChIKey: NBDDDYSYONWVMC-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H27-N.C4-H4-O4

Molecular Weight

  • 457.567
 
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Names and Synonyms

Synonyms

  • 1,1-Diphenyl-2-methyl-3-(N-phenethyl-N-methylamino)-1-propene
  • N-Methyl-N-(2-methyl-3,3-diphenylallyl)phenethylamine maleate

Systematic Name

  • Phenethylamine, N-methyl-N-(2-methyl-3,3-diphenylallyl)-, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 4750-94-1

System Generated Number

  • 0004750941

Molecular Formulas

Molecular Formula

  • C25-H27-N.C4-H4-O4

Molecular Formula Fragments

  • C25-H27-N
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H27N.C4H4O4/c1-21(20-26(2)19-18-22-12-6-3-7-13-22)25(23-14-8-4-9-15-23)24-16-10-5-11-17-24;5-3(6)1-2-4(7)8/h3-17H,18-20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

NBDDDYSYONWVMC-BTJKTKAUSA-N

Smiles

C(Cc1ccccc1)[N@@](CC(\C)=C(/c1ccccc1)c1ccccc1)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 1500mg/kg (1500mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 836, 1965.