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Substance Name: 1-Penten-3-one, 1-(6-bromo-1,3-benzodioxol-5-yl)-4,4-dimethyl-
RN: 58344-65-3
InChIKey: XCCWNEOBLAPBQD-SNAWJCMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H15-Br-O3

Molecular Weight

  • 311.1735
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 58344-65-3

System Generated Number

  • 0058344653

Structure Descriptors

InChI

1S/C14H15BrO3/c1-14(2,3)13(16)5-4-9-6-11-12(7-10(9)15)18-8-17-11/h4-7H,8H2,1-3H3/b5-4+

InChIKey

XCCWNEOBLAPBQD-SNAWJCMRSA-N

Smiles

CC(C)(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.