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Substance Name: 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)- (9CI)
RN: 20157-12-4
InChIKey: CCWZCOIPUHAZKR-FNORWQNLSA-N

Molecular Formula

  • C14-H16-O3

Molecular Weight

  • 232.277
 
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Names and Synonyms

Synonym

  • 1-(3,4-Methylenedioxyphenyl)-1-hepten-3-one

Systematic Names

  • 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)- (9CI)
  • 1-Hepten-3-one, 1-(3,4-methylenedioxyphenyl)-

Registry Numbers

CAS Registry Number

  • 20157-12-4

System Generated Number

  • 0020157124

Structure Descriptors

InChI

1S/C14H16O3/c1-2-3-4-12(15)7-5-11-6-8-13-14(9-11)17-10-16-13/h5-9H,2-4,10H2,1H3/b7-5+

InChIKey

CCWZCOIPUHAZKR-FNORWQNLSA-N

Smiles

c12c(ccc(c1)\C=C\C(CCCC)=O)OCO2

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.