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Substance Name: Nicotinic acid, alpha-(m-tolyl)benzyl ester
RN: 101952-80-1
InChIKey: ZHMDASMDTSWVRD-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-(m-Tolyl)benzyl nicotinate
  • BRN 0259017

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101952-80-1

System Generated Number

  • 0101952801

Structure Descriptors

InChI

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

InChIKey

ZHMDASMDTSWVRD-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccccc2)OC(c2cccnc2)=O)cc(ccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 250mg/kg (250mg/kg)   Pharmazie. Vol. 11, Pg. 242, 1956.