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Substance Name: Benzenemethanamine, alpha-phenyl-, 3-pyridinecarboxylate
RN: 171507-33-8
InChIKey: UXKPFNZZRUDDGS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-N.C6-H5-N-O2

Molecular Weight

  • 306.3632
 
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Names and Synonyms

Synonym

  • alpha-Phenylbenzenemethanamine 3-pyridinecarboxylate

Systematic Name

  • Benzenemethanamine, alpha-phenyl-, 3-pyridinecarboxylate

Registry Numbers

CAS Registry Number

  • 171507-33-8

System Generated Number

  • 0171507338

Molecular Formulas

Molecular Formula

  • C13-H13-N.C6-H5-N-O2

Molecular Formula Fragments

  • C13-H13-N
  • C6-H5-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C13H13N.C6H5NO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-6(9)5-2-1-3-7-4-5/h1-10,13H,14H2;1-4H,(H,8,9)

InChIKey

UXKPFNZZRUDDGS-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(c2ccccc2)N.c1cc(cnc1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1050mg/kg (1050mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 163, 1994.