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Substance Name: Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester
RN: 139266-40-3
InChIKey: LCTJQDQRNLRXMB-RMKNXTFCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H8-Br2-O4

Molecular Weight

  • 388.0102
 
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Names and Synonyms

Synonym

  • Methyl (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate

Systematic Name

  • Acetic acid, (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)-, methyl ester

Registry Numbers

CAS Registry Number

  • 139266-40-3

System Generated Number

  • 0139266403

Structure Descriptors

InChI

1S/C13H8Br2O4/c1-18-10(16)6-9-12(17)11(15)13(19-9)7-2-4-8(14)5-3-7/h2-6H,1H3/b9-6+

InChIKey

LCTJQDQRNLRXMB-RMKNXTFCSA-N

Smiles

COC(=O)/C=C/1\C(=O)C(=C(O1)c2ccc(cc2)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.