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Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 8-bromo-6-methyl-4-oxo-, ethyl ester
RN: 38322-72-4
InChIKey: QMWCBNYGYPWUEO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-Br-O4

Molecular Weight

  • 311.1299
 
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Names and Synonyms

Synonyms

  • 5-18-08-00339 (Beilstein Handbook Reference)
  • BRN 1383507
  • Ethyl 8-bromo-6-methyl-4-oxo-4H-1-benzopyran-2-carboxylate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 38322-72-4

System Generated Number

  • 0038322724

Structure Descriptors

InChI

1S/C13H11BrO4/c1-3-17-13(16)11-6-10(15)8-4-7(2)5-9(14)12(8)18-11/h4-6H,3H2,1-2H3

InChIKey

QMWCBNYGYPWUEO-UHFFFAOYSA-N

Smiles

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

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.