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Substance Name: 2(3H)-Furanone, 4,5-dihydro-4-acetyl-5-(o-nitrophenyl)-, (E)-
RN: 88220-91-1
InChIKey: GPCSMDVQFFHPLJ-BXKDBHETSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-N-O5

Molecular Weight

  • 249.2209
 
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Names and Synonyms

Synonyms

  • BRN 4490526
  • trans-4-Acetyl-5-(o-nitrophenyl)-4,5-dihydro-2(3H)-furanone

Systematic Name

  • 2(3H)-Furanone, 4,5-dihydro-4-acetyl-5-(o-nitrophenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 88220-91-1

System Generated Number

  • 0088220911

Structure Descriptors

InChI

1S/C12H11NO5/c1-7(14)9-6-11(15)18-12(9)8-4-2-3-5-10(8)13(16)17/h2-5,9,12H,6H2,1H3/t9-,12-/m1/s1

InChIKey

GPCSMDVQFFHPLJ-BXKDBHETSA-N

Smiles

CC(=O)[C@H]1CC(=O)O[C@@H]1c2ccccc2[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 18, Pg. 301, 1983.