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Substance Name: Nicotinic acid, alpha-methylbenzyl ester
RN: 101952-66-3
InChIKey: FDJWCCPDZQIKLO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-N-O2

Molecular Weight

  • 227.262
 
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Names and Synonyms

Synonyms

  • 4-22-00-00366 (Beilstein Handbook Reference)
  • alpha-Methylbenzyl nicotinate
  • BRN 0182611

Systematic Name

  • Nicotinic acid, alpha-methylbenzyl ester

Registry Numbers

CAS Registry Number

  • 101952-66-3

System Generated Number

  • 0101952663

Structure Descriptors

InChI

1S/C14H13NO2/c1-11(12-6-3-2-4-7-12)17-14(16)13-8-5-9-15-10-13/h2-11H,1H3

InChIKey

FDJWCCPDZQIKLO-UHFFFAOYSA-N

Smiles

c1([C@@H](OC(c2cccnc2)=O)C)ccccc1

Toxicity

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