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Substance Name: Nicotinic acid, 2-(phenethylthio)ethyl ester
RN: 101952-70-9
InChIKey: AKFDAYXHDDOXQC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N-O2-S

Molecular Weight

  • 287.381
 
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Names and Synonyms

Synonyms

  • 2-(Phenethylthio)ethyl nicotinate
  • 4-22-00-00372 (Beilstein Handbook Reference)
  • BRN 0228325

Systematic Name

  • Nicotinic acid, 2-(phenethylthio)ethyl ester

Registry Numbers

CAS Registry Number

  • 101952-70-9

System Generated Number

  • 0101952709

Structure Descriptors

InChI

1S/C16H17NO2S/c18-16(15-7-4-9-17-13-15)19-10-12-20-11-8-14-5-2-1-3-6-14/h1-7,9,13H,8,10-12H2

InChIKey

AKFDAYXHDDOXQC-UHFFFAOYSA-N

Smiles

c1(C(OCCSCCc2ccccc2)=O)cccnc1

Toxicity

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