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Substance Name: Nicotinic acid, 2-(hexylthio)ethyl ester
RN: 101952-62-9
InChIKey: VLJAYAMTEKTAMW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N-O2-S

Molecular Weight

  • 267.3909
 
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Names and Synonyms

Synonym

  • 2-(Hexylthio)ethyl nicotinate

Systematic Name

  • Nicotinic acid, 2-(hexylthio)ethyl ester

Registry Numbers

CAS Registry Number

  • 101952-62-9

System Generated Number

  • 0101952629

Structure Descriptors

InChI

1S/C14H21NO2S/c1-2-3-4-5-10-18-11-9-17-14(16)13-7-6-8-15-12-13/h6-8,12H,2-5,9-11H2,1H3

InChIKey

VLJAYAMTEKTAMW-UHFFFAOYSA-N

Smiles

CCCCCCSCCOC(=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.