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Substance Name: 1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane
RN: 108614-26-2
InChIKey: HFUCNMPQEAYQDJ-UHFFFAOYSA-N

Note

  • GABA(A) receptor ligand for autoradiography.

Classification Codes

  • Affinity Labels
  • Agricultural Chemical
  • Indicators and Reagents
  • Insecticide
  • Insecticides
  • Pesticides

Molecular Formula

  • C16-H18-O3

Molecular Weight

  • 258.315
 
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Names and Synonyms

Name of Substance

  • 1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane

Synonyms

  • 1-(4-Ethynylphenyl)-4-n-propyl-2,6,7-trioxabicyclo(2.2.2)octane
  • BRN 3619281
  • EBOB

Systematic Name

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-propyl-

Registry Numbers

CAS Registry Number

  • 108614-26-2

System Generated Number

  • 0108614262

Structure Descriptors

InChI

1S/C16H18O3/c1-3-9-15-10-17-16(18-11-15,19-12-15)14-7-5-13(4-2)6-8-14/h2,5-8H,3,9-12H2,1H3

InChIKey

HFUCNMPQEAYQDJ-UHFFFAOYSA-N

Smiles

O1CC2(COC1(c1ccc(cc1)C#C)OC2)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 920ug/kg (0.92mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 39, Pg. 1329, 1991.