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Substance Name: Nicotinic acid, hexamethylene ester
RN: 101952-83-4
InChIKey: OBKMIDVZRUPSJJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N2-O4

Molecular Weight

  • 328.366
 
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Names and Synonyms

Synonyms

  • 4-22-00-00373 (Beilstein Handbook Reference)
  • BRN 0298741
  • Hexamethylene nicotinate

Systematic Name

  • Nicotinic acid, hexamethylene ester

Registry Numbers

CAS Registry Number

  • 101952-83-4

System Generated Number

  • 0101952834

Structure Descriptors

InChI

1S/C18H20N2O4/c21-17(15-7-5-9-19-13-15)23-11-3-1-2-4-12-24-18(22)16-8-6-10-20-14-16/h5-10,13-14H,1-4,11-12H2

InChIKey

OBKMIDVZRUPSJJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   Pharmazie. Vol. 11, Pg. 242, 1956.