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Substance Name: Benzoic acid, m-(methylthio)-, 3-(diethylamino)propyl ester
RN: 67031-96-3
InChIKey: OBXRRRNYLLMSNP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N-O2-S

Molecular Weight

  • 281.418
 
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Names and Synonyms

Synonyms

  • 3-10-00-00273 (Beilstein Handbook Reference)
  • BRN 3315164
  • gamma-Diethylaminopropyl m-methylthiobenzoate
  • m-(Methylthio)benzoic acid 3-(diethylamino)propyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67031-96-3

System Generated Number

  • 0067031963

Structure Descriptors

InChI

1S/C15H23NO2S/c1-4-16(5-2)10-7-11-18-15(17)13-8-6-9-14(12-13)19-3/h6,8-9,12H,4-5,7,10-11H2,1-3H3

InChIKey

OBXRRRNYLLMSNP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 270mg/kg (270mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 68, Pg. 395, 1940.