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Substance Name: Benzoic acid, o-(ethylthio)-, 3-(diethylamino)propyl ester
RN: 67049-43-8
InChIKey: AXKUWGGIGQOVHI-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)
  • BRN 3308610
  • gamma-Diethylaminopropyl o-ethylthiobenzoate
  • o-(Ethylthio)benzoic acid 3-(diethylamino)propyl ester

Systematic Name

  • Benzoic acid, o-(ethylthio)-, 3-(diethylamino)propyl ester

Registry Numbers

CAS Registry Number

  • 67049-43-8

System Generated Number

  • 0067049438

Structure Descriptors

InChI

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

InChIKey

AXKUWGGIGQOVHI-UHFFFAOYSA-N

Smiles

c1(c(cccc1)SCC)C(OCCCN(CC)CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 185mg/kg (185mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 68, Pg. 395, 1940.