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Substance Name: Nicotinic acid, 2-((3-pyridylmethyl)thio)ethyl ester
RN: 101952-74-3
InChIKey: TWRHWXDYSHWBEW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-N2-O2-S

Molecular Weight

  • 274.343
 
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Names and Synonyms

Synonyms

  • 2-((3-Pyridinylmethyl)thio)ethyl nicotinate
  • 4-22-00-00372 (Beilstein Handbook Reference)
  • BRN 0236527

Systematic Name

  • Nicotinic acid, 2-((3-pyridylmethyl)thio)ethyl ester

Registry Numbers

CAS Registry Number

  • 101952-74-3

System Generated Number

  • 0101952743

Structure Descriptors

InChI

1S/C14H14N2O2S/c17-14(13-4-2-6-16-10-13)18-7-8-19-11-12-3-1-5-15-9-12/h1-6,9-10H,7-8,11H2

InChIKey

TWRHWXDYSHWBEW-UHFFFAOYSA-N

Smiles

c1(C(OCCSCc2cccnc2)=O)cccnc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 500mg/kg (500mg/kg)   Pharmazie. Vol. 11, Pg. 242, 1956.