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Substance Name: Nicotinic acid, ethylene ester
RN: 3612-79-1
InChIKey: LNACTWXLKXAXJI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H12-N2-O4

Molecular Weight

  • 272.259
 
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Names and Synonyms

Synonyms

  • 4-22-00-00370 (Beilstein Handbook Reference)
  • BRN 0027939
  • Ethylene glycol dinicotinate
  • NSC 72775

Systematic Name

  • Nicotinic acid, ethylene ester

Registry Numbers

CAS Registry Number

  • 3612-79-1

System Generated Number

  • 0003612791

Structure Descriptors

InChI

1S/C14H12N2O4/c17-13(11-3-1-5-15-9-11)19-7-8-20-14(18)12-4-2-6-16-10-12/h1-6,9-10H,7-8H2

InChIKey

LNACTWXLKXAXJI-UHFFFAOYSA-N

Smiles

c1(C(OCCOC(c2cccnc2)=O)=O)cccnc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 700mg/kg (700mg/kg)   Pharmazie. Vol. 11, Pg. 242, 1956.