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Substance Name: 1-Hexen-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-5,5-dimethyl-
RN: 58344-75-5
InChIKey: SNONJZGYYPBCJS-SNAWJCMRSA-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)-5,5-dimethyl-1-hexen-3-one

Systematic Name

  • 1-Hexen-3-one, 1-(6-chloro-1,3-benzodioxol-5-yl)-5,5-dimethyl-

Registry Numbers

CAS Registry Number

  • 58344-75-5

System Generated Number

  • 0058344755

Structure Descriptors

InChI

1S/C15H17ClO3/c1-15(2,3)8-11(17)5-4-10-6-13-14(7-12(10)16)19-9-18-13/h4-7H,8-9H2,1-3H3/b5-4+

InChIKey

SNONJZGYYPBCJS-SNAWJCMRSA-N

Smiles

CC(C)(C)CC(=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.