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Substance Name: Benzoic acid, o-(ethylthio)-, 2-piperidinoethyl ester
RN: 67049-46-1
InChIKey: FIQHLMDPUYIDTE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O2-S

Molecular Weight

  • 293.429
 
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Names and Synonyms

Synonyms

  • 4-20-00-00426 (Beilstein Handbook Reference)
  • beta-Piperidinoethyl o-ethylthiobenzoate
  • BRN 0208358
  • o-(Ethylthio)benzoic acid 2-piperidinoethyl ester

Systematic Name

  • Benzoic acid, o-(ethylthio)-, 2-piperidinoethyl ester

Registry Numbers

CAS Registry Number

  • 67049-46-1

System Generated Number

  • 0067049461

Structure Descriptors

InChI

1S/C16H23NO2S/c1-2-20-15-9-5-4-8-14(15)16(18)19-13-12-17-10-6-3-7-11-17/h4-5,8-9H,2-3,6-7,10-13H2,1H3

InChIKey

FIQHLMDPUYIDTE-UHFFFAOYSA-N

Smiles

c1(c(C(OCCN2CCCCC2)=O)cccc1)SCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 335mg/kg (335mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 68, Pg. 395, 1940.