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Substance Name: Undecanoic acid, 2-((2-cyano-3-phenyl-1-oxo-2-propenyl)oxy)-1-methylpropyl ester
RN: 84006-52-0
InChIKey: FMVXJSPIXBVJDR-PTGBLXJZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H35-N-O4

Molecular Weight

  • 413.5545
 
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Names and Synonyms

Synonym

  • 2-((2-Cyano-3-phenyl-1-oxo-2-propenyl)oxy)-1-methylpropyl undecanoate

Systematic Name

  • Undecanoic acid, 2-((2-cyano-3-phenyl-1-oxo-2-propenyl)oxy)-1-methylpropyl ester

Registry Numbers

CAS Registry Number

  • 84006-52-0

System Generated Number

  • 0084006520

Structure Descriptors

InChI

1S/C25H35NO4/c1-4-5-6-7-8-9-10-14-17-24(27)29-20(2)21(3)30-25(28)23(19-26)18-22-15-12-11-13-16-22/h11-13,15-16,18,20-21H,4-10,14,17H2,1-3H3/b23-18+

InChIKey

FMVXJSPIXBVJDR-PTGBLXJZSA-N

Smiles

CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)/C(=C/c1ccccc1)/C#N

Toxicity

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