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Substance Name: Ethanethioic acid, S-(2-methyl-3-oxo-3-((phenylmethyl)amino)propyl) ester
RN: 85980-47-8
InChIKey: ULQOPCYTXCELHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N-O2-S

Molecular Weight

  • 251.3483
 
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Names and Synonyms

Synonyms

  • beta-(Acetylthio)isobutyric acid benzylamide
  • BRN 5544890

Systematic Name

  • Ethanethioic acid, S-(2-methyl-3-oxo-3-((phenylmethyl)amino)propyl) ester

Registry Numbers

CAS Registry Number

  • 85980-47-8

System Generated Number

  • 0085980478

Structure Descriptors

InChI

1S/C13H17NO2S/c1-10(9-17-11(2)15)13(16)14-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)

InChIKey

ULQOPCYTXCELHU-UHFFFAOYSA-N

Smiles

CC(CSC(=O)C)C(=O)NCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1130mg/kg (1130mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 496, 1986.