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Substance Name: 1-Penten-3-one, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-
RN: 2419-68-3
InChIKey: LXFNQCGNCFRKRR-FNORWQNLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-O3

Molecular Weight

  • 232.277
 
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Names and Synonyms

Synonym

  • 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one

Systematic Name

  • 1-Penten-3-one, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-

Registry Numbers

CAS Registry Number

  • 2419-68-3

System Generated Number

  • 0002419683

Structure Descriptors

InChI

1S/C14H16O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8H,9H2,1-3H3/b7-5+

InChIKey

LXFNQCGNCFRKRR-FNORWQNLSA-N

Smiles

C(=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.