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Substance Name: Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone
RN: 19767-90-9
InChIKey: LIBWKUORUVCMDA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H16-N2-O6

Molecular Weight

  • 392.365
 
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Names and Synonyms

Synonyms

  • 5-22-02-00070 (Beilstein Handbook Reference)
  • alpha,4-Dinicotinoyloxy-3-methoxyacetophenone
  • BRN 0457681

Systematic Name

  • Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone

Registry Numbers

CAS Registry Number

  • 19767-90-9

System Generated Number

  • 0019767909

Structure Descriptors

InChI

1S/C21H16N2O6/c1-27-19-10-14(17(24)13-28-20(25)15-4-2-8-22-11-15)6-7-18(19)29-21(26)16-5-3-9-23-12-16/h2-12H,13H2,1H3

InChIKey

LIBWKUORUVCMDA-UHFFFAOYSA-N

Smiles

c1c(cccn1)C(=O)Oc1c(cc(cc1)C(=O)COC(=O)c1cnccc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 23, Pg. 1149, 1968.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Farmaco, Edizione Scientifica. Vol. 23, Pg. 1149, 1968.