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Substance Name: Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl
RN: 6809-95-6
InChIKey: MWRCQJJQFQLAJJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-O

Molecular Weight

  • 222.286
 
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Names and Synonyms

Synonyms

  • Benzyl bicyclo(4.2.0)octa-1,3,5-trien-7-yl ketone
  • Bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl ketone
  • BRN 2454368

Systematic Name

  • Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl benzyl

Registry Numbers

CAS Registry Number

  • 6809-95-6

System Generated Number

  • 0006809956

Structure Descriptors

InChI

1S/C16H14O/c17-16(10-12-6-2-1-3-7-12)15-11-13-8-4-5-9-14(13)15/h1-9,15H,10-11H2

InChIKey

MWRCQJJQFQLAJJ-UHFFFAOYSA-N

Smiles

c12[C@@H](Cc1cccc2)C(Cc1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1750mg/kg (1750mg/kg) BEHAVIORAL: EXCITEMENT Journal of Medicinal Chemistry. Vol. 9, Pg. 656, 1966.