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Substance Name: Benzoic acid, m-(butylthio)-, 3-(diethylamino)propyl ester
RN: 67032-51-3
InChIKey: SHMGQGJDDDOXLY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N-O2-S

Molecular Weight

  • 323.498
 
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Names and Synonyms

Synonyms

  • 3-10-00-00274 (Beilstein Handbook Reference)
  • BRN 3350507
  • gamma-Diethylaminopropyl m-butylthiobenzoate
  • m-(Butylthio)benzoic acid 3-(diethylamino)propyl ester

Systematic Name

  • Benzoic acid, m-(butylthio)-, 3-(diethylamino)propyl ester

Registry Numbers

CAS Registry Number

  • 67032-51-3

System Generated Number

  • 0067032513

Structure Descriptors

InChI

1S/C18H29NO2S/c1-4-7-14-22-17-11-8-10-16(15-17)18(20)21-13-9-12-19(5-2)6-3/h8,10-11,15H,4-7,9,12-14H2,1-3H3

InChIKey

SHMGQGJDDDOXLY-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)SCCCC)C(OCCCN(CC)CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 68, Pg. 395, 1940.