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Substance Name: 1-Oxaspiro(4.5)dec-3-en-2-one, 3-methyl-4-(2,4,5-trimethylbenzoyl)-
RN: 86560-13-6
InChIKey: ILOZMPPYGLSFMQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-O3

Molecular Weight

  • 312.4066
 
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Names and Synonyms

Synonyms

  • 2,4,5-Trimethylbenzoyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4
  • 2,4,5-Trimethylbenzoyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4 [French]
  • 3-Methyl-4-(2,4,5-trimethylbenzoyl)-1-oxaspiro(4.5)dec-3-en-2-one
  • BRN 5101201

Systematic Name

  • 1-Oxaspiro(4.5)dec-3-en-2-one, 3-methyl-4-(2,4,5-trimethylbenzoyl)-

Registry Numbers

CAS Registry Number

  • 86560-13-6

System Generated Number

  • 0086560136

Structure Descriptors

InChI

1S/C20H24O3/c1-12-10-14(3)16(11-13(12)2)18(21)17-15(4)19(22)23-20(17)8-6-5-7-9-20/h10-11H,5-9H2,1-4H3

InChIKey

ILOZMPPYGLSFMQ-UHFFFAOYSA-N

Smiles

Cc1cc(c(cc1C)C(=O)C2=C(C(=O)OC23CCCCC3)C)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.