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Substance Name: Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl butyl
RN: 6809-93-4
InChIKey: XCLXRGHHJAIZOY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-O

Molecular Weight

  • 188.268
 
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Names and Synonyms

Synonyms

  • 1-Benzocyclobutenyl n-butyl ketone
  • 1-Bicyclo(4.2.0)octa-1,3,5-trien-7-yl-1-pentanone
  • 1-Pentanone, 1-bicyclo(4.2.0)octa-1,3,5-trien-7-yl-
  • Bicyclo(4.2.0)octa-1,3,5-triene, 7-valeryl-
  • BRN 2094084
  • Pentanone, 1-benzocyclobutyl-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 6809-93-4

System Generated Number

  • 0006809934

Structure Descriptors

InChI

1S/C13H16O/c1-2-3-8-13(14)12-9-10-6-4-5-7-11(10)12/h4-7,12H,2-3,8-9H2,1H3

InChIKey

XCLXRGHHJAIZOY-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 550mg/kg (550mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: EXCITEMENT
Journal of Medicinal Chemistry. Vol. 9, Pg. 656, 1966.