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Substance Name: 1-Penten-3-one, 4-methyl-1-(3,4-methylenedioxyphenyl)-
RN: 2726-44-5
InChIKey: ADEXKEAIUZGTEJ-HWKANZROSA-N

Molecular Formula

  • C13-H14-O3

Molecular Weight

  • 218.251
 
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Names and Synonyms

Synonyms

  • 1-Penten-3-one, 1-(1,3-benzodioxol-5-yl)-4-methyl-
  • 4-Methyl-1-(3,4-methylenedioxyphenyl)-1-penten-3-one
  • 5-19-04-00344 (Beilstein Handbook Reference)
  • BRN 0015219

Systematic Name

  • 1-Penten-3-one, 4-methyl-1-(3,4-methylenedioxyphenyl)-

Registry Numbers

CAS Registry Number

  • 2726-44-5

System Generated Number

  • 0002726445

Structure Descriptors

InChI

1S/C13H14O3/c1-9(2)11(14)5-3-10-4-6-12-13(7-10)16-8-15-12/h3-7,9H,8H2,1-2H3/b5-3+

InChIKey

ADEXKEAIUZGTEJ-HWKANZROSA-N

Smiles

C(=C\C(C(C)C)=O)\c1cc2OCOc2cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978.