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Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 6,8-dibromo-4-oxo-, ethyl ester
RN: 38322-71-3
InChIKey: VFGSPHMOFHZRGB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H8-Br2-O4

Molecular Weight

  • 375.9992
 
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Names and Synonyms

Synonyms

  • 5-18-08-00318 (Beilstein Handbook Reference)
  • BRN 1253901
  • Ethyl 6,8-dibromo-4-oxo-4H-1-benzopyran-2-carboxylate

Systematic Name

  • 4H-1-Benzopyran-2-carboxylic acid, 6,8-dibromo-4-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 38322-71-3

System Generated Number

  • 0038322713

Structure Descriptors

InChI

1S/C12H8Br2O4/c1-2-17-12(16)10-5-9(15)7-3-6(13)4-8(14)11(7)18-10/h3-5H,2H2,1H3

InChIKey

VFGSPHMOFHZRGB-UHFFFAOYSA-N

Smiles

CCOC(=O)c1cc(=O)c2cc(cc(c2o1)Br)Br

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.