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Substance Name: Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride
RN: 16780-24-8
InChIKey: WPLKYOAWGXJWAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H19-N-O2-S.Cl-H

Molecular Weight

  • 289.825
 
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Names and Synonyms

Synonym

  • p-Ethoxythiobenzoic acid O-2-(dimethylamino)ethyl ester hydrochloride

Systematic Name

  • Benzoic acid, p-ethoxythio-, O-2-(dimethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 16780-24-8

System Generated Number

  • 0016780248

Molecular Formulas

Molecular Formula

  • C13-H19-N-O2-S.Cl-H

Molecular Formula Fragments

  • C13-H19-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H19NO2S.ClH/c1-4-15-12-7-5-11(6-8-12)13(17)16-10-9-14(2)3;/h5-8H,4,9-10H2,1-3H3;1H

InChIKey

WPLKYOAWGXJWAW-UHFFFAOYSA-N

Smiles

c1(C(OCC[NH+](C)C)=S)ccc(OCC)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 320mg/kg (320mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Therapie. Vol. 11, Pg. 117, 1956.