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Substance Name: Benzeneacetic acid, alpha-(4-(4-chlorophenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene)-, methyl ester, (E)-
RN: 37542-22-6
InChIKey: OJTRRBVXKPVKNQ-BMRADRMJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H13-Cl-O5

Molecular Weight

  • 356.7597
 
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Names and Synonyms

Synonyms

  • BRN 1401459
  • Methyl (E)-alpha-(4-(4-chlorophenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene)benzeneacetate

Systematic Name

  • Benzeneacetic acid, alpha-(4-(4-chlorophenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene)-, methyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 37542-22-6

System Generated Number

  • 0037542226

Structure Descriptors

InChI

1S/C19H13ClO5/c1-24-18(22)15(11-5-3-2-4-6-11)17-16(21)14(19(23)25-17)12-7-9-13(20)10-8-12/h2-10,21H,1H3/b17-15+

InChIKey

OJTRRBVXKPVKNQ-BMRADRMJSA-N

Smiles

COC(=O)/C(=C/1\C(=C(C(=O)O1)c2ccc(cc2)Cl)O)/c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 199, 1975.