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Substance Name: 1-Penten-3-one, 4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)-
RN: 58344-32-4
InChIKey: KOSODCLZHIVNBI-BQYQJAHWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-O4

Molecular Weight

  • 278.3458
 
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Names and Synonyms

Synonyms

  • 4,4-Dimethyl-1-(2,4,5-trimethoxyphenyl)-1-penten-3-one
  • BRN 2282376

Systematic Name

  • 1-Penten-3-one, 4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 58344-32-4

System Generated Number

  • 0058344324

Structure Descriptors

InChI

1S/C16H22O4/c1-16(2,3)15(17)8-7-11-9-13(19-5)14(20-6)10-12(11)18-4/h7-10H,1-6H3/b8-7+

InChIKey

KOSODCLZHIVNBI-BQYQJAHWSA-N

Smiles

CC(C)(C)C(=O)/C=C/c1cc(c(cc1OC)OC)OC

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.