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Substance Name: Benzoic acid, 2-(N-methyl-N-(4-phenylbutyl)amino)ethyl ester, hydrochloride
RN: 67070-18-2
InChIKey: NDHQXNUMPRHYHX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N-O2.Cl-H

Molecular Weight

  • 347.883
 
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Names and Synonyms

  • Benzoic acid, 2-(N-methyl-N-(4-phenylbutyl)amino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67070-18-2

System Generated Number

  • 0067070182

Molecular Formulas

Molecular Formula

  • C20-H25-N-O2.Cl-H

Molecular Formula Fragments

  • C20-H25-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25NO2.ClH/c1-21(15-9-8-12-18-10-4-2-5-11-18)16-17-23-20(22)19-13-6-3-7-14-19;/h2-7,10-11,13-14H,8-9,12,15-17H2,1H3;1H

InChIKey

NDHQXNUMPRHYHX-UHFFFAOYSA-N

Smiles

c1(C(OCC[N@@H+](CCCCc2ccccc2)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.