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Substance Name: Phenethyl alcohol, alpha-(1-methyl-2-(methylphenethylamino)ethyl)-alpha-phenyl-, oxalate
RN: 4838-43-1
InChIKey: NUZOSTFTNYATKN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H31-N-O.C2-H2-O4

Molecular Weight

  • 463.571
 
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Names and Synonyms

Synonyms

  • 1,2-Diphenyl-3-methyl-4-(methylphenethylamino)-2-butanol oxalate
  • 2-Butanol, 1,2-diphenyl-3-methyl-4-(methylphenethylamino)-, oxalate
  • alpha-(1-Methyl-2-(methylphenethylamino)ethyl)-alpha-phenyl-phenethyl alcohol oxalate

Systematic Name

  • Phenethyl alcohol, alpha-(1-methyl-2-(methylphenethylamino)ethyl)-alpha-phenyl-, oxalate

Registry Numbers

CAS Registry Number

  • 4838-43-1

System Generated Number

  • 0004838431

Molecular Formulas

Molecular Formula

  • C26-H31-N-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H31-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C26H31NO.C2H2O4/c1-22(21-27(2)19-18-23-12-6-3-7-13-23)26(28,25-16-10-5-11-17-25)20-24-14-8-4-9-15-24;3-1(4)2(5)6/h3-17,22,28H,18-21H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

NUZOSTFTNYATKN-UHFFFAOYSA-N

Smiles

C(c1ccccc1)[C@@](c1ccccc1)([C@@H](C)C[N@@](CCc1ccccc1)C)O.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 750mg/kg (750mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 836, 1965.