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Substance Name: Benzoic acid, o-(propylthio)-, 3-(diethylamino)propyl ester
RN: 67031-79-2
InChIKey: NSYLWPKUALIHIS-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)
  • BRN 3325967
  • gamma-Diethylaminopropyl o-propylthiobenzoate
  • o-(Propylthio)benzoic acid 3-(diethylamino)propyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67031-79-2

System Generated Number

  • 0067031792

Structure Descriptors

InChI

1S/C17H27NO2S/c1-4-14-21-16-11-8-7-10-15(16)17(19)20-13-9-12-18(5-2)6-3/h7-8,10-11H,4-6,9,12-14H2,1-3H3

InChIKey

NSYLWPKUALIHIS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 215mg/kg (215mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 68, Pg. 395, 1940.