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Substance Name: 2-Propen-1-one, 1-(4,7-dimethoxy-6-(2-(4-morpholinyl)ethoxy)-5-benzofuranyl)-3-(2-hydroxyphenyl)-, (Z)-2-butenedioate (1:1) (salt)
RN: 52171-43-4
InChIKey: OGOHYFZATCPJCI-BEMIRCFPSA-N

Molecular Formula

  • C25-H27-N-O7.C4-H4-O4

Molecular Weight

  • 569.5599
 
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Names and Synonyms

Synonym

  • Benzofuran, 4,7-dimethoxy-5-(2-hydroxycinnamoyl)-6-(2-morpholinoethoxy)-, (Z)-2-butenedioate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 52171-43-4

System Generated Number

  • 0052171434

Molecular Formulas

Molecular Formula

  • C25-H27-N-O7.C4-H4-O4

Molecular Formula Fragments

  • C25-H27-N-O7
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H27NO7.C4H4O4/c1-29-22-18-9-13-32-23(18)25(30-2)24(33-16-12-26-10-14-31-15-11-26)21(22)20(28)8-7-17-5-3-4-6-19(17)27;5-3(6)1-2-4(7)8/h3-9,13,27H,10-12,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b8-7-;2-1+

InChIKey

OGOHYFZATCPJCI-BEMIRCFPSA-N

Smiles

COc1c2ccoc2c(c(c1C(=O)/C=C\c3ccccc3O)OCCN4CCOCC4)OC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 2gm/kg (2000mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 479, 1973.