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Substance Name: 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)-
RN: 66596-37-0
InChIKey: WWJGFYZEEZTDHC-CMDGGOBGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-O4

Molecular Weight

  • 278.3458
 
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Names and Synonyms

Synonym

  • 1-(3,4,5-Trimethoxyphenyl)-1-hepten-3-one

Systematic Name

  • 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 66596-37-0

System Generated Number

  • 0066596370

Structure Descriptors

InChI

1S/C16H22O4/c1-5-6-7-13(17)9-8-12-10-14(18-2)16(20-4)15(11-12)19-3/h8-11H,5-7H2,1-4H3/b9-8+

InChIKey

WWJGFYZEEZTDHC-CMDGGOBGSA-N

Smiles

CCCCC(=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.