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Substance Name: 5-Indanacetic acid, 2-benzylidene-3-oxo-
RN: 71823-58-0
InChIKey: ZAUYFUBDHDNSBM-NVNXTCNLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H14-O3

Molecular Weight

  • 278.3056
 
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Names and Synonyms

Synonyms

  • 2-Benzylidene-3-oxo-5-indanacetic acid
  • BRN 2988212

Systematic Name

  • 5-Indanacetic acid, 2-benzylidene-3-oxo-

Registry Numbers

CAS Registry Number

  • 71823-58-0

System Generated Number

  • 0071823580

Structure Descriptors

InChI

1S/C18H14O3/c19-17(20)10-13-6-7-14-11-15(18(21)16(14)9-13)8-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,20)/b15-8-

InChIKey

ZAUYFUBDHDNSBM-NVNXTCNLSA-N

Smiles

c1ccc(cc1)/C=C\2/Cc3ccc(cc3C2=O)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 1464, 1979.