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Substance Name: 1-Hepten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-6-methyl-
RN: 58344-74-4
InChIKey: QPUODWROBUWKHC-GQCTYLIASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-Cl-O3

Molecular Weight

  • 280.7493
 
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Names and Synonyms

Synonym

  • 1-(6-Chloro-1,3-benzodioxol-5-yl)-6-methyl-1-hepten-3-one

Systematic Name

  • 1-Hepten-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-6-methyl-

Registry Numbers

CAS Registry Number

  • 58344-74-4

System Generated Number

  • 0058344744

Structure Descriptors

InChI

1S/C15H17ClO3/c1-10(2)3-5-12(17)6-4-11-7-14-15(8-13(11)16)19-9-18-14/h4,6-8,10H,3,5,9H2,1-2H3/b6-4+

InChIKey

QPUODWROBUWKHC-GQCTYLIASA-N

Smiles

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