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Substance Name: 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl-
RN: 56751-49-6
InChIKey: MAUYXMGQVSFHJC-HWKANZROSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-O3

Molecular Weight

  • 230.2616
 
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Names and Synonyms

Synonym

  • 1-(1,3-Benzodioxol-5-yl)-5-methyl-1,4-hexadien-3-one

Systematic Name

  • 1,4-Hexadien-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl-

Registry Numbers

CAS Registry Number

  • 56751-49-6

System Generated Number

  • 0056751496

Structure Descriptors

InChI

1S/C14H14O3/c1-10(2)7-12(15)5-3-11-4-6-13-14(8-11)17-9-16-13/h3-8H,9H2,1-2H3/b5-3+

InChIKey

MAUYXMGQVSFHJC-HWKANZROSA-N

Smiles

CC(=CC(=O)/C=C/c1ccc2c(c1)OCO2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4209517,