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Substance Name: Hexanoic acid, 2-((3-(4-methoxyphenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester
RN: 84006-39-3
InChIKey: GLSQCGGTAJTMTP-SDNWHVSQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-O5

Molecular Weight

  • 348.4362
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 84006-39-3

System Generated Number

  • 0084006393

Structure Descriptors

InChI

1S/C20H28O5/c1-5-6-7-8-19(21)24-15(2)16(3)25-20(22)14-11-17-9-12-18(23-4)13-10-17/h9-16H,5-8H2,1-4H3/b14-11+

InChIKey

GLSQCGGTAJTMTP-SDNWHVSQSA-N

Smiles

CCCCCC(=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,