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Substance Name: Nicotinic acid, tetramethylene ester
RN: 101952-76-5
InChIKey: PPJDCSQLKYABRQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-N2-O4

Molecular Weight

  • 300.312
 
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Names and Synonyms

Synonyms

  • 4-22-00-00372 (Beilstein Handbook Reference)
  • BRN 0280495
  • Tetramethylene nicotinate

Systematic Name

  • Nicotinic acid, tetramethylene ester

Registry Numbers

CAS Registry Number

  • 101952-76-5

System Generated Number

  • 0101952765

Structure Descriptors

InChI

1S/C16H16N2O4/c19-15(13-5-3-7-17-11-13)21-9-1-2-10-22-16(20)14-6-4-8-18-12-14/h3-8,11-12H,1-2,9-10H2

InChIKey

PPJDCSQLKYABRQ-UHFFFAOYSA-N

Smiles

c1(C(OCCCCOC(c2cccnc2)=O)=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.