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Substance Name: Nicotinic acid, 2-(methylthio)ethyl ester
RN: 101952-67-4
InChIKey: RBIKYSUIHYRVQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H11-N-O2-S

Molecular Weight

  • 197.257
 
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Names and Synonyms

Synonyms

  • 2-(Methylthio)ethyl nicotinate
  • 4-22-00-00371 (Beilstein Handbook Reference)
  • BRN 0143260

Systematic Name

  • Nicotinic acid, 2-(methylthio)ethyl ester

Registry Numbers

CAS Registry Number

  • 101952-67-4

System Generated Number

  • 0101952674

Structure Descriptors

InChI

1S/C9H11NO2S/c1-13-6-5-12-9(11)8-3-2-4-10-7-8/h2-4,7H,5-6H2,1H3

InChIKey

RBIKYSUIHYRVQL-UHFFFAOYSA-N

Smiles

c1(C(OCCSC)=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.