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Substance Name: Benzofuran, 4,7-dimethoxy-5-(p-methoxycinnamoyl)-6-(2-pyrrolidinylethoxy)-, oxalate
RN: 52171-40-1
InChIKey: SADAZCDVUWUASX-YGCVIUNWSA-N

Molecular Formula

  • C26-H29-N-O6.C2-H2-O4

Molecular Weight

  • 541.55
 
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Names and Synonyms

Synonym

  • 4,7-Dimethoxy-5-(p-methoxycinnamoyl)-6-(2-pyrrolidinylethoxy)benzofuran oxalate

Systematic Name

  • Benzofuran, 4,7-dimethoxy-5-(p-methoxycinnamoyl)-6-(2-pyrrolidinylethoxy)-, oxalate

Registry Numbers

CAS Registry Number

  • 52171-40-1

System Generated Number

  • 0052171401

Molecular Formulas

Molecular Formula

  • C26-H29-N-O6.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H29-N-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C26H29NO6.C2H2O4/c1-29-19-9-6-18(7-10-19)8-11-21(28)22-23(30-2)20-12-16-32-24(20)26(31-3)25(22)33-17-15-27-13-4-5-14-27;3-1(4)2(5)6/h6-12,16H,4-5,13-15,17H2,1-3H3;(H,3,4)(H,5,6)/b11-8+;

InChIKey

SADAZCDVUWUASX-YGCVIUNWSA-N

Smiles

c1(c(c(c2ccoc2c1OC)OC)C(\C=C\c1ccc(OC)cc1)=O)OCC[NH+]1CCCC1.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 250mg/kg (250mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 479, 1973.