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Substance Name: Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(3,4,5-trimethoxycinnamoyl)-, maleate
RN: 52171-39-8
InChIKey: MFDIRQREKNYEDW-OXKXBFCCSA-N

Molecular Formula

  • C26-H31-N-O8.C4-H4-O4

Molecular Weight

  • 601.602
 
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Names and Synonyms

Synonym

  • 4,7-Dimethoxy-6-(2-dimethylaminoethoxy)-5-(3,4,5-trimethoxycinnamoyl)benzofuran maleate

Systematic Name

  • Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(3,4,5-trimethoxycinnamoyl)-, maleate

Registry Numbers

CAS Registry Number

  • 52171-39-8

System Generated Number

  • 0052171398

Molecular Formulas

Molecular Formula

  • C26-H31-N-O8.C4-H4-O4

Molecular Formula Fragments

  • C26-H31-N-O8
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H31NO8.C4H4O4/c1-27(2)11-13-35-25-21(22(31-5)17-10-12-34-23(17)26(25)33-7)18(28)9-8-16-14-19(29-3)24(32-6)20(15-16)30-4;5-3(6)1-2-4(7)8/h8-10,12,14-15H,11,13H2,1-7H3;1-2H,(H,5,6)(H,7,8)/b9-8+;2-1-

InChIKey

MFDIRQREKNYEDW-OXKXBFCCSA-N

Smiles

c1(c(c(c2occc2c1OC)OC)OCC[NH+](C)C)C(\C=C\c1cc(c(OC)c(c1)OC)OC)=O.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 2gm/kg (2000mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 479, 1973.
mouse LD50 intravenous 40mg/kg (40mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 479, 1973.