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Substance Name: Benzoic acid, o-(butylthio)-, 2-(diethylamino)ethyl ester
RN: 67032-50-2
InChIKey: JUEGEDPKPUYFST-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-N-O2-S

Molecular Weight

  • 309.471
 
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Names and Synonyms

Synonyms

  • 3-10-00-00230 (Beilstein Handbook Reference)
  • beta-Diethylaminoethyl o-butylthiobenzoate
  • BRN 2653788
  • o-(Butylthio)benzoic acid 2-(diethylamino)ethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67032-50-2

System Generated Number

  • 0067032502

Structure Descriptors

InChI

1S/C17H27NO2S/c1-4-7-14-21-16-11-9-8-10-15(16)17(19)20-13-12-18(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3

InChIKey

JUEGEDPKPUYFST-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 440mg/kg (440mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 68, Pg. 395, 1940.