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Substance Name: Benzenemethanamine, alpha-phenyl-, 2-methoxybenzoate
RN: 171507-30-5
InChIKey: RPJGSHLVHACJMN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-N.C8-H8-O3

Molecular Weight

  • 335.4009
 
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Names and Synonyms

Synonym

  • alpha-Phenylbenzenemethanamine 2-methoxybenzoate

Systematic Name

  • Benzenemethanamine, alpha-phenyl-, 2-methoxybenzoate

Registry Numbers

CAS Registry Number

  • 171507-30-5

System Generated Number

  • 0171507305

Molecular Formulas

Molecular Formula

  • C13-H13-N.C8-H8-O3

Molecular Formula Fragments

  • C13-H13-N
  • C8-H8-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C13H13N.C8H8O3/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-11-7-5-3-2-4-6(7)8(9)10/h1-10,13H,14H2;2-5H,1H3,(H,9,10)

InChIKey

RPJGSHLVHACJMN-UHFFFAOYSA-N

Smiles

COc1ccccc1C(=O)O.c1ccc(cc1)C(c2ccccc2)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 620mg/kg (620mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 163, 1994.