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Substance Name: Nicotinic acid, 2-(benzylthio)ethyl ester
RN: 101952-53-8
InChIKey: NOCMOMLHYMVNAN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-N-O2-S

Molecular Weight

  • 273.3545
 
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Names and Synonyms

Synonyms

  • 2-(Benzylthio)ethyl nicotinate
  • 4-22-00-00371 (Beilstein Handbook Reference)
  • BRN 0222719

Systematic Name

  • Nicotinic acid, 2-(benzylthio)ethyl ester

Registry Numbers

CAS Registry Number

  • 101952-53-8

System Generated Number

  • 0101952538

Structure Descriptors

InChI

1S/C15H15NO2S/c17-15(14-7-4-8-16-11-14)18-9-10-19-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2

InChIKey

NOCMOMLHYMVNAN-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CSCCOC(=O)c2cccnc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 250mg/kg (250mg/kg)   Pharmazie. Vol. 11, Pg. 242, 1956.