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Substance Name: Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride
RN: 16780-14-6
InChIKey: WTMBCTFOGOHGDR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O2-S.Cl-H

Molecular Weight

  • 329.89
 
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Names and Synonyms

Synonym

  • p-Ethoxythiobenzoic acid O-2-piperidinoethyl ester hydrochloride

Systematic Name

  • Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 16780-14-6

System Generated Number

  • 0016780146

Molecular Formulas

Molecular Formula

  • C16-H23-N-O2-S.Cl-H

Molecular Formula Fragments

  • C16-H23-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23NO2S.ClH/c1-2-18-15-8-6-14(7-9-15)16(20)19-13-12-17-10-4-3-5-11-17;/h6-9H,2-5,10-13H2,1H3;1H

InChIKey

WTMBCTFOGOHGDR-UHFFFAOYSA-N

Smiles

c1(ccc(OCC)cc1)C(OCC[NH+]1CCCCC1)=S.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 290mg/kg (290mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Therapie. Vol. 11, Pg. 117, 1956.