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Substance Name: Nicotinic acid, alpha-phenylbenzyl ester
RN: 101895-26-5
InChIKey: PXYLRFZSCPICNC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H15-N-O2

Molecular Weight

  • 289.332
 
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Names and Synonyms

Synonyms

  • 4-22-00-00369 (Beilstein Handbook Reference)
  • alpha-Phenylbenzyl nicotinate
  • BRN 0227632

Systematic Name

  • Nicotinic acid, alpha-phenylbenzyl ester

Registry Numbers

CAS Registry Number

  • 101895-26-5

System Generated Number

  • 0101895265

Structure Descriptors

InChI

1S/C19H15NO2/c21-19(17-12-7-13-20-14-17)22-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,18H

InChIKey

PXYLRFZSCPICNC-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)OC(c1cccnc1)=O

Toxicity

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