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Substance Name: Benzoic acid, o-(propylthio)-, 2-(diethylamino)ethyl ester
RN: 67031-77-0
InChIKey: DPGQOHPORFQQRU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N-O2-S

Molecular Weight

  • 295.444
 
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Names and Synonyms

Synonyms

  • 3-10-00-00230 (Beilstein Handbook Reference)
  • beta-Diethylaminoethyl o-propylthiobenzoate
  • BRN 3308608
  • o-(Propylthio)benzoic acid 2-(diethylamino)ethyl ester

Systematic Name

  • Benzoic acid, o-(propylthio)-, 2-(diethylamino)ethyl ester

Registry Numbers

CAS Registry Number

  • 67031-77-0

System Generated Number

  • 0067031770

Structure Descriptors

InChI

1S/C16H25NO2S/c1-4-13-20-15-10-8-7-9-14(15)16(18)19-12-11-17(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3

InChIKey

DPGQOHPORFQQRU-UHFFFAOYSA-N

Smiles

c1(c(cccc1)SCCC)C(OCCN(CC)CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 470mg/kg (470mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 68, Pg. 395, 1940.