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Substance Name: Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(2-hydroxy-3-methoxycinnamoyl)-, oxalate
RN: 41226-04-4
InChIKey: PAKKPDVNIBWDCL-RRABGKBLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-N-O7.C2-H2-O4

Molecular Weight

  • 531.511
 
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Names and Synonyms

  • Benzofuran, 4,7-dimethoxy-6-(2-dimethylaminoethoxy)-5-(2-hydroxy-3-methoxycinnamoyl)-, oxalate

Registry Numbers

CAS Registry Number

  • 41226-04-4

System Generated Number

  • 0041226044

Molecular Formulas

Molecular Formula

  • C24-H27-N-O7.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C24-H27-N-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C24H27NO7.C2H2O4/c1-25(2)12-14-32-23-19(21(29-4)16-11-13-31-22(16)24(23)30-5)17(26)10-9-15-7-6-8-18(28-3)20(15)27;3-1(4)2(5)6/h6-11,13,27H,12,14H2,1-5H3;(H,3,4)(H,5,6)/b10-9+;

InChIKey

PAKKPDVNIBWDCL-RRABGKBLSA-N

Smiles

c1(c(c(c2ccoc2c1OC)OC)C(\C=C\c1c(c(ccc1)OC)O)=O)OCC[NH+](C)C.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 1050mg/kg (1050mg/kg)   United States Patent Document. Vol. #3862176,
mouse LD50 oral 1050mg/kg (1050mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 479, 1973.