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Substance Name: Benzenemethanamine, alpha-phenyl-, 4-chlorobenzoate
RN: 171507-27-0
InChIKey: HHYSFNRBLOURIR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-N.C7-H5-Cl-O2

Molecular Weight

  • 339.8202
 
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Names and Synonyms

Synonym

  • alpha-Phenylbenzenemethanamine 4-chlorobenzoate

Systematic Name

  • Benzenemethanamine, alpha-phenyl-, 4-chlorobenzoate

Registry Numbers

CAS Registry Number

  • 171507-27-0

System Generated Number

  • 0171507270

Molecular Formulas

Molecular Formula

  • C13-H13-N.C7-H5-Cl-O2

Molecular Formula Fragments

  • C13-H13-N
  • C7-H5-Cl-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C13H13N.C7H5ClO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-6-3-1-5(2-4-6)7(9)10/h1-10,13H,14H2;1-4H,(H,9,10)

InChIKey

HHYSFNRBLOURIR-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(c2ccccc2)N.c1cc(ccc1C(=O)O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 450mg/kg (450mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 163, 1994.