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Substance Name: Benzoic acid, p-(butylthio)-, 2-piperidinoethyl ester
RN: 67032-54-6
InChIKey: ZKGKEEWMRXLJRV-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

  • beta-Piperidinoethyl m-butylthiobenzoate
  • p-(Butylthio)benzoic acid 2-piperidinoethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67032-54-6

System Generated Number

  • 0067032546

Structure Descriptors

InChI

1S/C18H27NO2S/c1-2-3-15-22-17-9-7-16(8-10-17)18(20)21-14-13-19-11-5-4-6-12-19/h7-10H,2-6,11-15H2,1H3

InChIKey

ZKGKEEWMRXLJRV-UHFFFAOYSA-N

Smiles

c1(ccc(SCCCC)cc1)C(OCCN1CCCCC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 560mg/kg (560mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 68, Pg. 395, 1940.