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Substance Name: Nicotinic acid, alpha-(o-tolyl)benzyl ester
RN: 101952-81-2
InChIKey: VPJPVYXGVKPHAJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H17-N-O2

Molecular Weight

  • 303.359
 
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Names and Synonyms

Synonyms

  • 4-22-00-00369 (Beilstein Handbook Reference)
  • alpha-(o-Tolyl)benzyl nicotinate
  • BRN 0253758

Systematic Name

  • Nicotinic acid, alpha-(o-tolyl)benzyl ester

Registry Numbers

CAS Registry Number

  • 101952-81-2

System Generated Number

  • 0101952812

Structure Descriptors

InChI

1S/C20H17NO2/c1-15-8-5-6-12-18(15)19(16-9-3-2-4-10-16)23-20(22)17-11-7-13-21-14-17/h2-14,19H,1H3

InChIKey

VPJPVYXGVKPHAJ-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccccc2)OC(c2cccnc2)=O)c(cccc1)C

Toxicity

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