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Substance Name: Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl-
RN: 69920-35-0
InChIKey: XPYZDCFXCMXPDU-KPKJPENVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-O3

Molecular Weight

  • 244.2884
 
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Names and Synonyms

Synonyms

  • 2-(1,3-Benzodioxol-5-ylmethylene)-4-methylcyclohexanone
  • 2-(3,4-Methylenedioxybenzylidene)-4-methylcyclohexanone
  • 2-Piperonylidene-4-methylcyclohexanone

Systematic Name

  • Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-4-methyl-

Registry Numbers

CAS Registry Number

  • 69920-35-0

System Generated Number

  • 0069920350

Structure Descriptors

InChI

1S/C15H16O3/c1-10-2-4-13(16)12(6-10)7-11-3-5-14-15(8-11)18-9-17-14/h3,5,7-8,10H,2,4,6,9H2,1H3/b12-7+

InChIKey

XPYZDCFXCMXPDU-KPKJPENVSA-N

Smiles

CC1CCC(=O)/C(=C/c2ccc3c(c2)OCO3)/C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2833880,