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Substance Name: Benzoic acid, 2-(N-methyl-N-(3-phenylpropyl)amino)ethyl ester, hydrochloride
RN: 67031-87-2
InChIKey: KLNXMFDXIFKFIY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N-O2.Cl-H

Molecular Weight

  • 333.857
 
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Names and Synonyms

  • Benzoic acid, 2-(N-methyl-N-(3-phenylpropyl)amino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67031-87-2

System Generated Number

  • 0067031872

Molecular Formulas

Molecular Formula

  • C19-H23-N-O2.Cl-H

Molecular Formula Fragments

  • C19-H23-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H23NO2.ClH/c1-20(14-8-11-17-9-4-2-5-10-17)15-16-22-19(21)18-12-6-3-7-13-18;/h2-7,9-10,12-13H,8,11,14-16H2,1H3;1H

InChIKey

KLNXMFDXIFKFIY-UHFFFAOYSA-N

Smiles

c1(C(OCC[N@@H+](CCCc2ccccc2)C)=O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 3gm/kg (3000mg/kg)   Journal of the American Chemical Society. Vol. 53, Pg. 1587, 1931.
rat LDLo intravenous 50mg/kg (50mg/kg)   Journal of the American Chemical Society. Vol. 53, Pg. 1587, 1931.