Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, m-(propylthio)-, 2-piperidinoethyl ester
RN: 67031-80-5
InChIKey: PEHIRBVKWKSOOU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N-O2-S

Molecular Weight

  • 307.456
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 4-20-00-00427 (Beilstein Handbook Reference)
  • beta-Piperidinoethyl m-propylthiobenzoate
  • BRN 0238585
  • m-(Propylthio)benzoic acid 2-piperidinoethyl ester

Systematic Name

  • Benzoic acid, m-(propylthio)-, 2-piperidinoethyl ester

Registry Numbers

CAS Registry Number

  • 67031-80-5

System Generated Number

  • 0067031805

Structure Descriptors

InChI

1S/C17H25NO2S/c1-2-13-21-16-8-6-7-15(14-16)17(19)20-12-11-18-9-4-3-5-10-18/h6-8,14H,2-5,9-13H2,1H3

InChIKey

PEHIRBVKWKSOOU-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)SCCC)C(OCCN1CCCCC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 68, Pg. 395, 1940.