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Substance Name: Nicotinic acid, 2-ester with 2,4'-dihydroxy-3'-methoxyacetophenone
RN: 19767-91-0
InChIKey: FELGAPTYPKHPJC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H13-N-O5

Molecular Weight

  • 287.27
 
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Names and Synonyms

Synonyms

  • alpha-Nicotinoyloxy-4-hydroxy-3-methoxyacetophenone
  • BRN 0428610
  • EINECS 243-286-4

Systematic Names

  • 2-(4-Hydroxy-3-methoxyphenyl)-2-oxoethyl nicotinate
  • Nicotinic acid, 2-ester with 2,4'-dihydroxy-3'-methoxyacetophenone

Registry Numbers

CAS Registry Number

  • 19767-91-0

System Generated Number

  • 0019767910

Structure Descriptors

InChI

1S/C15H13NO5/c1-20-14-7-10(4-5-12(14)17)13(18)9-21-15(19)11-3-2-6-16-8-11/h2-8,17H,9H2,1H3

InChIKey

FELGAPTYPKHPJC-UHFFFAOYSA-N

Smiles

c1(cc(OC)c(cc1)O)C(COC(c1cnccc1)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 420mg/kg (420mg/kg)   Farmaco, Edizione Scientifica. Vol. 23, Pg. 1149, 1968.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Farmaco, Edizione Scientifica. Vol. 23, Pg. 1149, 1968.