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Substance Name: Benzoic acid, o-(butylthio)-, 2-piperidinoethyl ester
RN: 67032-53-5
InChIKey: PDFZQDDWVJHHKB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N-O2-S

Molecular Weight

  • 321.482
 
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Names and Synonyms

Synonyms

  • 4-20-00-00426 (Beilstein Handbook Reference)
  • beta-Piperidinoethyl o-butylthiobenzoate
  • BRN 0231787
  • o-(Butylthio)benzoic acid 2-piperidinoethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67032-53-5

System Generated Number

  • 0067032535

Structure Descriptors

InChI

1S/C18H27NO2S/c1-2-3-15-22-17-10-6-5-9-16(17)18(20)21-14-13-19-11-7-4-8-12-19/h5-6,9-10H,2-4,7-8,11-15H2,1H3

InChIKey

PDFZQDDWVJHHKB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 380mg/kg (380mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 68, Pg. 395, 1940.