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Substance Name: Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(p-hydroxycinnamoyl)-, oxalate
RN: 52171-41-2
InChIKey: VZZZTAQCTMTEHX-HCUGZAAXSA-N

Molecular Formula

  • C23-H25-N-O6.C2-H2-O4

Molecular Weight

  • 501.485
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 52171-41-2

System Generated Number

  • 0052171412

Molecular Formulas

Molecular Formula

  • C23-H25-N-O6.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C23-H25-N-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C23H25NO6.C2H2O4/c1-24(2)12-14-30-22-19(18(26)10-7-15-5-8-16(25)9-6-15)20(27-3)17-11-13-29-21(17)23(22)28-4;3-1(4)2(5)6/h5-11,13,25H,12,14H2,1-4H3;(H,3,4)(H,5,6)/b10-7+;

InChIKey

VZZZTAQCTMTEHX-HCUGZAAXSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 479, 1973.
mouse LD50 oral 640mg/kg (640mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 479, 1973.