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Substance Name: 1-Hexen-3-one, 5,5-dimethyl-1-(3,4-methylenedioxyphenyl)-
RN: 58344-54-0
InChIKey: LNGZEQJRNZOUHD-GQCTYLIASA-N

Molecular Formula

  • C15-H18-O3

Molecular Weight

  • 246.304
 
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Names and Synonyms

Synonym

  • 5,5-Dimethyl-1-(3,4-methylenedioxyphenyl)-1-hexen-3-one

Systematic Name

  • 1-Hexen-3-one, 5,5-dimethyl-1-(3,4-methylenedioxyphenyl)-

Registry Numbers

CAS Registry Number

  • 58344-54-0

System Generated Number

  • 0058344540

Structure Descriptors

InChI

1S/C15H18O3/c1-15(2,3)9-12(16)6-4-11-5-7-13-14(8-11)18-10-17-13/h4-8H,9-10H2,1-3H3/b6-4+

InChIKey

LNGZEQJRNZOUHD-GQCTYLIASA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978.