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Substance Name: Nicotinic acid, 2-(phenylthio)ethyl ester
RN: 101952-72-1
InChIKey: JEBKONQKBZQPBQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-N-O2-S

Molecular Weight

  • 259.328
 
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Names and Synonyms

Synonyms

  • 2-(Phenylthio)ethyl nicotinate
  • 4-22-00-00371 (Beilstein Handbook Reference)
  • BRN 0206211

Systematic Name

  • Nicotinic acid, 2-(phenylthio)ethyl ester

Registry Numbers

CAS Registry Number

  • 101952-72-1

System Generated Number

  • 0101952721

Structure Descriptors

InChI

1S/C14H13NO2S/c16-14(12-5-4-8-15-11-12)17-9-10-18-13-6-2-1-3-7-13/h1-8,11H,9-10H2

InChIKey

JEBKONQKBZQPBQ-UHFFFAOYSA-N

Smiles

c1(C(OCCSc2ccccc2)=O)cccnc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   Pharmazie. Vol. 11, Pg. 242, 1956.