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Substance Name: 2-Propen-1-one, 1-(4,7-dimethoxy-6-(2-(1-pyrrolidinyl)ethoxy)-5-benzofuranyl)-3-(2-hydroxyphenyl)-, ethanedioate (1:1) (salt)
RN: 41226-39-5
InChIKey: COIKYFLULOLDNP-RRABGKBLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H27-N-O6.C2-H2-O4

Molecular Weight

  • 527.5231
 
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Names and Synonyms

Synonym

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

Systematic Name

  • 2-Propen-1-one, 1-(4,7-dimethoxy-6-(2-(1-pyrrolidinyl)ethoxy)-5-benzofuranyl)-3-(2-hydroxyphenyl)-, ethanedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 41226-39-5

System Generated Number

  • 0041226395

Molecular Formulas

Molecular Formula

  • C25-H27-N-O6.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C25-H27-N-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C25H27NO6.C2H2O4/c1-29-22-18-11-15-31-23(18)25(30-2)24(32-16-14-26-12-5-6-13-26)21(22)20(28)10-9-17-7-3-4-8-19(17)27;3-1(4)2(5)6/h3-4,7-11,15,27H,5-6,12-14,16H2,1-2H3;(H,3,4)(H,5,6)/b10-9+;

InChIKey

COIKYFLULOLDNP-RRABGKBLSA-N

Smiles

COc1c2ccoc2c(c(c1C(=O)/C=C/c3ccccc3O)OCCN4CCCC4)OC.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 2400mg/kg (2400mg/kg)   United States Patent Document. Vol. #3862176,
mouse LD oral > 2gm/kg (2000mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 479, 1973.