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Substance Name: Acetic acid, diphenylthio-, O-ester with 1-ethyl-3-piperidinol, hydrochloride
RN: 57554-27-5
InChIKey: FFWRMEZJTTZGIW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O-S.Cl-H

Molecular Weight

  • 375.961
 
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Names and Synonyms

Synonym

  • 3-Piperidinol, 1-ethyl-, O-ester with diphenylthioacetate, hydrochloride

Systematic Name

  • Acetic acid, diphenylthio-, O-ester with 1-ethyl-3-piperidinol, hydrochloride

Registry Numbers

CAS Registry Number

  • 57554-27-5

System Generated Number

  • 0057554275

Molecular Formulas

Molecular Formula

  • C21-H25-N-O-S.Cl-H

Molecular Formula Fragments

  • C21-H25-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25NOS.ClH/c1-2-22-15-9-14-19(16-22)23-21(24)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19-20H,2,9,14-16H2,1H3;1H

InChIKey

FFWRMEZJTTZGIW-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)C(O[C@@H]1C[N@@H+](CCC1)CC)=S.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 334mg/kg (334mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 262, 1975.