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Substance Name: 1-Penten-3-one, 1-(2-chloro-4,5-methylenedioxyphenyl)-4-methyl-
RN: 58344-72-2
InChIKey: PYSBCKVQJBTGFL-ONEGZZNKSA-N

Molecular Formula

  • C13-H13-Cl-O3

Molecular Weight

  • 252.6957
 
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Names and Synonyms

Synonym

  • 1-(2-Chloro-4,5-methylenedioxyphenyl)-4-methyl-1-penten-3-one

Systematic Name

  • 1-Penten-3-one, 1-(2-chloro-4,5-methylenedioxyphenyl)-4-methyl-

Registry Numbers

CAS Registry Number

  • 58344-72-2

System Generated Number

  • 0058344722

Structure Descriptors

InChI

1S/C13H13ClO3/c1-8(2)11(15)4-3-9-5-12-13(6-10(9)14)17-7-16-12/h3-6,8H,7H2,1-2H3/b4-3+

InChIKey

PYSBCKVQJBTGFL-ONEGZZNKSA-N

Smiles

CC(C)C(=O)/C=C/c1cc2c(cc1Cl)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.