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Substance Name: Benzoic acid, p-ethoxy-, 2-(benzylamino)ethyl ester, hydrochloride
RN: 94997-12-3
InChIKey: OIJJGZFQRXKSAO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-O3.Cl-H

Molecular Weight

  • 335.829
 
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Names and Synonyms

Synonym

  • p-Ethoxybenzoic acid 2-(benzylamino)ethyl ester hydrochloride

Systematic Name

  • Benzoic acid, p-ethoxy-, 2-(benzylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 94997-12-3

System Generated Number

  • 0094997123

Molecular Formulas

Molecular Formula

  • C18-H21-N-O3.Cl-H

Molecular Formula Fragments

  • C18-H21-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21NO3.ClH/c1-2-21-17-10-8-16(9-11-17)18(20)22-13-12-19-14-15-6-4-3-5-7-15;/h3-11,19H,2,12-14H2,1H3;1H

InChIKey

OIJJGZFQRXKSAO-UHFFFAOYSA-N

Smiles

c1(C(OCC[NH2+]Cc2ccccc2)=O)ccc(OCC)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 272mg/kg (272mg/kg)   Journal of Pharmaceutical Sciences. Vol. 53, Pg. 134, 1964.