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Substance Name: Nicotinic acid, alpha-butylbenzyl ester
RN: 101952-55-0
InChIKey: YPSASZXSBYEQQF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N-O2

Molecular Weight

  • 269.3421
 
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Names and Synonyms

Synonyms

  • 4-22-00-00367 (Beilstein Handbook Reference)
  • alpha-Butylbenzyl nicotinate
  • BRN 0243653
  • RTECS RB7560000

Systematic Name

  • Nicotinic acid, alpha-butylbenzyl ester

Registry Numbers

CAS Registry Number

  • 101952-55-0

System Generated Number

  • 0101952550

Structure Descriptors

InChI

1S/C17H19NO2/c1-2-3-11-16(14-8-5-4-6-9-14)20-17(19)15-10-7-12-18-13-15/h4-10,12-13,16H,2-3,11H2,1H3

InChIKey

YPSASZXSBYEQQF-UHFFFAOYSA-N

Smiles

CCCCC(c1ccccc1)OC(=O)c2cccnc2

Toxicity

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