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Substance Name: Benzofuran, 4,7-dimethoxy-6-(2-piperidinoethoxy)-5-cinnamoyl-, oxalate
RN: 41225-94-9
InChIKey: LBUWBVLWZOZNLC-CALJPSDSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H29-N-O5.C2-H2-O4

Molecular Weight

  • 525.551
 
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Names and Synonyms

Synonyms

  • 4,7-Dimethoxy-6-(2-piperidinoethoxy)-5-cinnamoyl benzofuran oxalate
  • 5-Cinnamoyl-4,7-dimethoxy-6-piperidinoethoxybenzofuran oxalate

Systematic Name

  • Benzofuran, 4,7-dimethoxy-6-(2-piperidinoethoxy)-5-cinnamoyl-, oxalate

Registry Numbers

CAS Registry Number

  • 41225-94-9

System Generated Number

  • 0041225949

Molecular Formulas

Molecular Formula

  • C26-H29-N-O5.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H29-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C26H29NO5.C2H2O4/c1-29-23-20-13-17-31-24(20)26(30-2)25(32-18-16-27-14-7-4-8-15-27)22(23)21(28)12-11-19-9-5-3-6-10-19;3-1(4)2(5)6/h3,5-6,9-13,17H,4,7-8,14-16,18H2,1-2H3;(H,3,4)(H,5,6)/b12-11+;

InChIKey

LBUWBVLWZOZNLC-CALJPSDSSA-N

Smiles

c1(c(c(c2ccoc2c1OC)OC)C(\C=C\c1ccccc1)=O)OCC[NH+]1CCCCC1.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 500mg/kg (500mg/kg)   United States Patent Document. Vol. #3862176,
mouse LD50 oral 500mg/kg (500mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 479, 1973.