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Substance Name: 1-Oxaspiro(4.5)dec-3-en-2-one, 3-methyl-4-(4-methylbenzoyl)-
RN: 86560-11-4
InChIKey: XQBZIAXHWIZAIY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-O3

Molecular Weight

  • 284.353
 
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Names and Synonyms

Synonyms

  • 3-Methyl-4-(4-methylbenzoyl)-1-oxaspiro(4.5)dec-3-en-2-one
  • 4-Methylbenzoyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4
  • 4-Methylbenzoyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4 [French]
  • BRN 5081573

Systematic Name

  • 1-Oxaspiro(4.5)dec-3-en-2-one, 3-methyl-4-(4-methylbenzoyl)-

Registry Numbers

CAS Registry Number

  • 86560-11-4

System Generated Number

  • 0086560114

Structure Descriptors

InChI

1S/C18H20O3/c1-12-6-8-14(9-7-12)16(19)15-13(2)17(20)21-18(15)10-4-3-5-11-18/h6-9H,3-5,10-11H2,1-2H3

InChIKey

XQBZIAXHWIZAIY-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)C(=O)C2=C(C(=O)OC23CCCCC3)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 18, Pg. 147, 1983.