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Substance Name: Phenethyl alcohol, alpha-benzyl-alpha-(1-methyl-2-(methylphenethylamino)ethyl)-, oxalate
RN: 4119-02-2
InChIKey: RGIXIHSELFDBBY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H33-N-O.C2-H2-O4

Molecular Weight

  • 477.598
 
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Names and Synonyms

Synonym

  • alpha-Benzyl-alpha-(1-methyl-2-(methylphenethylamino)ethyl)phenethyl alcohol oxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 4119-02-2

System Generated Number

  • 0004119022

Molecular Formulas

Molecular Formula

  • C27-H33-N-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C27-H33-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C27H33NO.C2H2O4/c1-23(22-28(2)19-18-24-12-6-3-7-13-24)27(29,20-25-14-8-4-9-15-25)21-26-16-10-5-11-17-26;3-1(4)2(5)6/h3-17,23,29H,18-22H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

RGIXIHSELFDBBY-UHFFFAOYSA-N

Smiles

C([C@@H](C[N@@](CCc1ccccc1)C)C)(Cc1ccccc1)(O)Cc1ccccc1.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 375mg/kg (375mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 836, 1965.