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Substance Name: Benzofuran, 4,7-dimethoxy-5-(p-hydroxycinnamoyl)-6-(2-pyrrolidinylethoxy)-, maleate
RN: 52171-42-3
InChIKey: MALWISYPIMDZHV-IWHATJSRSA-N

Molecular Formula

  • C25-H27-N-O6.C4-H4-O4

Molecular Weight

  • 553.561
 
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Names and Synonyms

Synonym

  • 4,7-Dimethoxy-5-(p-hydroxycinnamoyl)-6-(2-pyrrolidinylethoxy)benzofuran maleate

Systematic Name

  • Benzofuran, 4,7-dimethoxy-5-(p-hydroxycinnamoyl)-6-(2-pyrrolidinylethoxy)-, maleate

Registry Numbers

CAS Registry Number

  • 52171-42-3

System Generated Number

  • 0052171423

Molecular Formulas

Molecular Formula

  • C25-H27-N-O6.C4-H4-O4

Molecular Formula Fragments

  • C25-H27-N-O6
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H27NO6.C4H4O4/c1-29-22-19-11-15-31-23(19)25(30-2)24(32-16-14-26-12-3-4-13-26)21(22)20(28)10-7-17-5-8-18(27)9-6-17;5-3(6)1-2-4(7)8/h5-11,15,27H,3-4,12-14,16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b10-7+;2-1-

InChIKey

MALWISYPIMDZHV-IWHATJSRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 479, 1973.
mouse LD50 oral 1700mg/kg (1700mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 479, 1973.