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Substance Name: Benzoic acid, m-(ethylthio)-, 2-piperidinoethyl ester
RN: 67049-45-0
InChIKey: XSGPCOQDFQBOGT-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

  • 4-20-00-00427 (Beilstein Handbook Reference)
  • beta-Piperidinoethyl m-ethylthiobenzoate
  • BRN 0216708
  • m-(Ethylthio)benzoic acid 2-piperidinoethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67049-45-0

System Generated Number

  • 0067049450

Structure Descriptors

InChI

1S/C16H23NO2S/c1-2-20-15-8-6-7-14(13-15)16(18)19-12-11-17-9-4-3-5-10-17/h6-8,13H,2-5,9-12H2,1H3

InChIKey

XSGPCOQDFQBOGT-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 370mg/kg (370mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 68, Pg. 395, 1940.