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Substance Name: Undecanoic acid, 2-((3-(4-methoxyphenyl-1-oxo-2-propenyl)oxy)-1-methylpropyl ester
RN: 84006-40-6
InChIKey: HEOGSXAZUOIHPQ-KNTRCKAVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H38-O5

Molecular Weight

  • 418.5702
 
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Names and Synonyms

Synonym

  • 2-(3-(4-Methoxyphenyl-1-oxo-2-propenyl)oxy)-1-methylpropyl undecanoate

Systematic Name

  • Undecanoic acid, 2-((3-(4-methoxyphenyl-1-oxo-2-propenyl)oxy)-1-methylpropyl ester

Registry Numbers

CAS Registry Number

  • 84006-40-6

System Generated Number

  • 0084006406

Structure Descriptors

InChI

1S/C25H38O5/c1-5-6-7-8-9-10-11-12-13-24(26)29-20(2)21(3)30-25(27)19-16-22-14-17-23(28-4)18-15-22/h14-21H,5-13H2,1-4H3/b19-16+

InChIKey

HEOGSXAZUOIHPQ-KNTRCKAVSA-N

Smiles

CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)/C=C/c1ccc(cc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0056189,