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Substance Name: 1-Penten-3-one, 1-(6-bromo-1,3-benzodioxol-5-yl)-4-methyl-
RN: 58344-64-2
InChIKey: JPTBBIZSBCEUGI-ONEGZZNKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-Br-O3

Molecular Weight

  • 297.1467
 
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Names and Synonyms

Synonym

  • 1-(6-Bromo-1,3-benzodioxol-5-yl)-4-methyl-1-penten-3-one

Systematic Name

  • 1-Penten-3-one, 1-(6-bromo-1,3-benzodioxol-5-yl)-4-methyl-

Registry Numbers

CAS Registry Number

  • 58344-64-2

System Generated Number

  • 0058344642

Structure Descriptors

InChI

1S/C13H13BrO3/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

JPTBBIZSBCEUGI-ONEGZZNKSA-N

Smiles

CC(C)C(=O)/C=C/c1cc2c(cc1Br)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.