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Substance Name: 4H-Pyran-2-carboxylic acid, 3,5-dibromo-6-(4-methylphenyl)-4-oxo-, methyl ester
RN: 139266-56-1
InChIKey: AHABCIXVIRDFKD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H10-Br2-O4

Molecular Weight

  • 402.037
 
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Names and Synonyms

Synonyms

  • BRN 5443539
  • Methyl 3,5-dibromo-6-(4-methylphenyl)-4-oxo-4H-pyran-2-carboxylate

Systematic Name

  • 4H-Pyran-2-carboxylic acid, 3,5-dibromo-6-(4-methylphenyl)-4-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 139266-56-1

System Generated Number

  • 0139266561

Structure Descriptors

InChI

1S/C14H10Br2O4/c1-7-3-5-8(6-4-7)12-9(15)11(17)10(16)13(20-12)14(18)19-2/h3-6H,1-2H3

InChIKey

AHABCIXVIRDFKD-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)c2c(c(=O)c(c(o2)C(=O)OC)Br)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 891, 1991.