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Substance Name: Nicotinic acid, 2-(butylthio)ethyl ester
RN: 101952-56-1
InChIKey: NCQRKPBHENVSNU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O2-S

Molecular Weight

  • 239.3373
 
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Names and Synonyms

Synonyms

  • 2-(Butylthio)ethyl nicotinate
  • 4-22-00-00371 (Beilstein Handbook Reference)
  • BRN 0165034

Systematic Name

  • Nicotinic acid, 2-(butylthio)ethyl ester

Registry Numbers

CAS Registry Number

  • 101952-56-1

System Generated Number

  • 0101952561

Structure Descriptors

InChI

1S/C12H17NO2S/c1-2-3-8-16-9-7-15-12(14)11-5-4-6-13-10-11/h4-6,10H,2-3,7-9H2,1H3

InChIKey

NCQRKPBHENVSNU-UHFFFAOYSA-N

Smiles

CCCCSCCOC(=O)c1cccnc1

Toxicity

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