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Substance Name: Hexanoic acid, 1-methyl-2-((1-oxo-3-phenyl-2-propenyl)oxy)propyl ester
RN: 84006-29-1
InChIKey: BSBRAUYLEYBZFY-BUHFOSPRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H26-O4

Molecular Weight

  • 318.4104
 
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Names and Synonyms

Synonym

  • 1-Methyl-2-((1-oxo-3-phenyl-2-propenyl)oxy)propyl hexanoate

Systematic Name

  • Hexanoic acid, 1-methyl-2-((1-oxo-3-phenyl-2-propenyl)oxy)propyl ester

Registry Numbers

CAS Registry Number

  • 84006-29-1

System Generated Number

  • 0084006291

Structure Descriptors

InChI

1S/C19H26O4/c1-4-5-7-12-18(20)22-15(2)16(3)23-19(21)14-13-17-10-8-6-9-11-17/h6,8-11,13-16H,4-5,7,12H2,1-3H3/b14-13+

InChIKey

BSBRAUYLEYBZFY-BUHFOSPRSA-N

Smiles

CCCCCC(=O)OC(C)C(C)OC(=O)/C=C/c1ccccc1

Toxicity

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