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Substance Name: 2-Propen-1-one, 1-(6-(2-(dimethylamino)ethoxy)-4,7-dimethoxy-5-benzofuranyl)-3-(3,4,5-trimethoxyphenyl)-, ethanedioate (1:1)
RN: 41226-10-2
InChIKey: YHYBYRKSPMWIOM-HRNDJLQDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H31-N-O8.C2-H2-O4

Molecular Weight

  • 575.5637
 
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Names and Synonyms

  • 2-Propen-1-one, 1-(6-(2-(dimethylamino)ethoxy)-4,7-dimethoxy-5-benzofuranyl)-3-(3,4,5-trimethoxyphenyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 41226-10-2

System Generated Number

  • 0041226102

Molecular Formulas

Molecular Formula

  • C26-H31-N-O8.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H31-N-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C26H31NO8.C2H2O4/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;3-1(4)2(5)6/h8-10,12,14-15H,11,13H2,1-7H3;(H,3,4)(H,5,6)/b9-8+;

InChIKey

YHYBYRKSPMWIOM-HRNDJLQDSA-N

Smiles

CN(C)CCOc1c(c(c2ccoc2c1OC)OC)C(=O)/C=C/c3cc(c(c(c3)OC)OC)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,