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Substance Name: Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-propoxycinnamoyl)-, oxalate
RN: 41226-30-6
InChIKey: MEEPMCQQIUYWRI-NBYYMMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H31-N-O6.C2-H2-O4

Molecular Weight

  • 543.566
 
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Names and Synonyms

Synonym

  • 4,7-Dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-propoxycinnamoyl)benzofuran oxalate

Systematic Name

  • Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-propoxycinnamoyl)-, oxalate

Registry Numbers

CAS Registry Number

  • 41226-30-6

System Generated Number

  • 0041226306

Molecular Formulas

Molecular Formula

  • C26-H31-N-O6.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H31-N-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C26H31NO6.C2H2O4/c1-6-15-31-19-10-7-18(8-11-19)9-12-21(28)22-23(29-4)20-13-16-32-24(20)26(30-5)25(22)33-17-14-27(2)3;3-1(4)2(5)6/h7-13,16H,6,14-15,17H2,1-5H3;(H,3,4)(H,5,6)/b12-9+;

InChIKey

MEEPMCQQIUYWRI-NBYYMMLRSA-N

Smiles

c1(c(c(c2occc2c1OC)OC)OCC[NH+](C)C)C(=O)\C=C\c1ccc(OCCC)cc1.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.