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Substance Name: 1-Hexen-3-one, 5-methyl-1-(3,4,5-trimethoxyphenyl)-
RN: 66596-38-1
InChIKey: FERGHQVZNVYALP-VOTSOKGWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-O4

Molecular Weight

  • 278.3458
 
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Names and Synonyms

Synonyms

  • 5-Methyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-one
  • BRN 2290168

Systematic Name

  • 1-Hexen-3-one, 5-methyl-1-(3,4,5-trimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 66596-38-1

System Generated Number

  • 0066596381

Structure Descriptors

InChI

1S/C16H22O4/c1-11(2)8-13(17)7-6-12-9-14(18-3)16(20-5)15(10-12)19-4/h6-7,9-11H,8H2,1-5H3/b7-6+

InChIKey

FERGHQVZNVYALP-VOTSOKGWSA-N

Smiles

CC(C)CC(=O)/C=C/c1cc(c(c(c1)OC)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.