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Substance Name: Nicotinic acid, trimethylene ester
RN: 98326-19-3
InChIKey: DXGLWKHNNNHVHV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-N2-O4

Molecular Weight

  • 286.286
 
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Names and Synonyms

Synonyms

  • 4-22-00-00372 (Beilstein Handbook Reference)
  • BRN 0268626
  • Trimethylene glycol dinicotinate

Systematic Name

  • Nicotinic acid, trimethylene ester

Registry Numbers

CAS Registry Number

  • 98326-19-3

System Generated Number

  • 0098326193

Structure Descriptors

InChI

1S/C15H14N2O4/c18-14(12-4-1-6-16-10-12)20-8-3-9-21-15(19)13-5-2-7-17-11-13/h1-2,4-7,10-11H,3,8-9H2

InChIKey

DXGLWKHNNNHVHV-UHFFFAOYSA-N

Smiles

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