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Substance Name: Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride
RN: 14188-03-5
InChIKey: VOOYCDZIQJWEBW-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

Synonyms

  • (3-Dimethylaminopropyl)-2-(2-phenylethyl)benzoate hydrochloride
  • o-Phenethylbenzoic acid 3-(dimethylamino)propyl ester hydrochloride

Systematic Name

  • Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 14188-03-5

System Generated Number

  • 0014188035

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(2)15-8-16-23-20(22)19-12-7-6-11-18(19)14-13-17-9-4-3-5-10-17;/h3-7,9-12H,8,13-16H2,1-2H3;1H

InChIKey

VOOYCDZIQJWEBW-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(OCCC[NH+](C)C)=O)CCc1ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 1738, 1967.