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Substance Name: 7-Hydroxyethyl biscoumacetate
RN: 112222-66-9
UNII: 1C46VAS84W
InChIKey: HOQKQBQANVGWAZ-UHFFFAOYSA-N

Note

  • Major urinary metabolite of ethyl biscoumacetate.

Molecular Formula

  • C22-H16-O9

Molecular Weight

  • 424.3594
 
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Names and Synonyms

Name of Substance

  • 7-Hydroxyethyl biscoumacetate

Synonyms

  • 7-Heba
  • UNII-1C46VAS84W

Systematic Name

  • Acetic acid, (4,7-dihydroxy-2-oxo-2H-1-benzopyran-3-yl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 112222-66-9

FDA UNII

  • 1C46VAS84W

System Generated Number

  • 0112222669

Structure Descriptors

InChI

1S/C22H16O9/c1-2-29-20(26)15(16-18(24)11-5-3-4-6-13(11)30-21(16)27)17-19(25)12-8-7-10(23)9-14(12)31-22(17)28/h3-9,15,23-25H,2H2,1H3

InChIKey

HOQKQBQANVGWAZ-UHFFFAOYSA-N

Smiles

CCOC(=O)C(c1c(c2ccccc2oc1=O)O)c3c(c4ccc(cc4oc3=O)O)O