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Substance Name: Benzofuran, 4,7-dimethoxy-6-(2-diisopropylaminoethoxy)-5-(p-methoxycinnamoyl)-, oxalate
RN: 41226-20-4
InChIKey: VJGQQHJXQKXILT-RSGUCCNWSA-N

Molecular Formula

  • C28-H35-N-O6.C2-H2-O4

Molecular Weight

  • 571.619
 
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Names and Synonyms

Synonym

  • 4,7-Dimethoxy-6-(2-diisopropylaminoethoxy)-5-(p-methoxycinnamoyl)benzofuran oxalate

Systematic Name

  • Benzofuran, 4,7-dimethoxy-6-(2-diisopropylaminoethoxy)-5-(p-methoxycinnamoyl)-, oxalate

Registry Numbers

CAS Registry Number

  • 41226-20-4

System Generated Number

  • 0041226204

Molecular Formulas

Molecular Formula

  • C28-H35-N-O6.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C28-H35-N-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C28H35NO6.C2H2O4/c1-18(2)29(19(3)4)15-17-35-27-24(23(30)13-10-20-8-11-21(31-5)12-9-20)25(32-6)22-14-16-34-26(22)28(27)33-7;3-1(4)2(5)6/h8-14,16,18-19H,15,17H2,1-7H3;(H,3,4)(H,5,6)/b13-10+;

InChIKey

VJGQQHJXQKXILT-RSGUCCNWSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 13mg/kg (13mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 479, 1973.
mouse LD50 oral 185mg/kg (185mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 479, 1973.