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Substance Name: Nicotinic acid, pentamethylene ester
RN: 101952-68-5
InChIKey: QXAAJEOJGGACLR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N2-O4

Molecular Weight

  • 314.339
 
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Names and Synonyms

Synonyms

  • 4-22-00-00373 (Beilstein Handbook Reference)
  • BRN 0290622
  • Pentamethylene nicotinate

Systematic Name

  • Nicotinic acid, pentamethylene ester

Registry Numbers

CAS Registry Number

  • 101952-68-5

System Generated Number

  • 0101952685

Structure Descriptors

InChI

InChI=1S/C17H18N2O4/c20-16(14-6-4-8-18-12-14)22-10-2-1-3-11-23-17(21)15-7-5-9-19-13-15/h4-9,12-13H,1-3,10-11H2

InChIKey

QXAAJEOJGGACLR-UHFFFAOYSA-N

Smiles

O=C(OCCCCCOC(=O)c1cccnc1)c2cccnc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 500mg/kg (500mg/kg)   Pharmazie. Vol. 11, Pg. 242, 1956.