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Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester
RN: 6345-73-9
InChIKey: PSQHTAURXSIPJF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H16-O5

Molecular Weight

  • 324.33
 
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Names and Synonyms

Synonyms

  • 4-18-00-06340 (Beilstein Handbook Reference)
  • BRN 0306136
  • Ethyl 4-oxo-7-(phenylmethoxy)-4H-1-benzopyran-2-carboxylate

Systematic Name

  • 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-7-(phenylmethoxy)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 6345-73-9

System Generated Number

  • 0006345739

Structure Descriptors

InChI

1S/C19H16O5/c1-2-22-19(21)18-11-16(20)15-9-8-14(10-17(15)24-18)23-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

InChIKey

PSQHTAURXSIPJF-UHFFFAOYSA-N

Smiles

c1(cc(=O)c2c(o1)cc(OCc1ccccc1)cc2)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 865, 1972.