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Substance Name: Acetic acid, bromo(3-oxo-5-phenyl-2(3H)-furanylidene)-, methyl ester
RN: 97181-07-2
InChIKey: PGMPSIRCGKOXBR-QXMHVHEDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H9-Br-O4

Molecular Weight

  • 309.1141
 
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Names and Synonyms

Synonyms

  • BRN 5055832
  • Methyl bromo(3-oxo-5-phenyl-2(3H)-furanylidene)acetate

Systematic Name

  • Acetic acid, bromo(3-oxo-5-phenyl-2(3H)-furanylidene)-, methyl ester

Registry Numbers

CAS Registry Number

  • 97181-07-2

System Generated Number

  • 0097181072

Structure Descriptors

InChI

1S/C13H9BrO4/c1-17-13(16)11(14)12-9(15)7-10(18-12)8-5-3-2-4-6-8/h2-7H,1H3/b12-11-

InChIKey

PGMPSIRCGKOXBR-QXMHVHEDSA-N

Smiles

C(\C(=C1\OC(=CC1=O)c1ccccc1)Br)(=O)OC

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.