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Substance Name: 2(3H)-Furanone, 4,5-dihydro-4-acetyl-5-(p-tolyl)-, (E)-
RN: 88220-95-5
InChIKey: QAJBDDLCYJBYMG-DGCLKSJQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-O3

Molecular Weight

  • 218.2506
 
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Names and Synonyms

Synonyms

  • 2(3H)-Furanone, dihydro-4-acetyl-5-(4-methylphenyl)-, (E)-
  • BRN 4434397
  • trans-4-Acetyl-5-(p-tolyl)-4,5-dihydro-2(3H)-furanone

Systematic Name

  • 2(3H)-Furanone, 4,5-dihydro-4-acetyl-5-(p-tolyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 88220-95-5

System Generated Number

  • 0088220955

Structure Descriptors

InChI

1S/C13H14O3/c1-8-3-5-10(6-4-8)13-11(9(2)14)7-12(15)16-13/h3-6,11,13H,7H2,1-2H3/t11-,13-/m1/s1

InChIKey

QAJBDDLCYJBYMG-DGCLKSJQSA-N

Smiles

Cc1ccc(cc1)[C@@H]2[C@H](CC(=O)O2)C(=O)C

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.