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Substance Name: Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid
RN: 56624-44-3
InChIKey: RMIDAWHSPFYENA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N-O2-S2

Molecular Weight

  • 269.388
 
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Names and Synonyms

Synonyms

  • beta-(Benzylamino-thiocarbonyl-mercapto)-propionsaeure methylaester
  • beta-(Benzylamino-thiocarbonyl-mercapto)-propionsaeure methylaester [German]
  • BRN 2744723
  • Propanoic acid, 3-((((phenylmethyl)amino)thioxomethyl)thio)-, methyl ester

Systematic Name

  • Propionic acid, 3-mercapto-, methyl ester, ester with benzyldithiocarbamic acid

Registry Numbers

CAS Registry Number

  • 56624-44-3

System Generated Number

  • 0056624443

Structure Descriptors

InChI

1S/C12H15NO2S2/c1-15-11(14)7-8-17-12(16)13-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,16)

InChIKey

RMIDAWHSPFYENA-UHFFFAOYSA-N

Smiles

C(=S)(NCc1ccccc1)SCCC(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1590mg/kg (1590mg/kg)   Archiv der Pharmazie Vol. 309, Pg. 161, 1976.