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Substance Name: Hexanoic acid, 1-methyl-2-((3-(4-methylphenyl)-1-oxo-2-propenyl)oxy)propyl ester
RN: 84006-37-1
InChIKey: NHRNEQWXPRHBEL-BUHFOSPRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-O4

Molecular Weight

  • 332.4372
 
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Names and Synonyms

Synonym

  • 1-Methyl-2-((3-(4-methylphenyl)-1-oxo-2-propenyl)oxy)propyl hexanoate

Systematic Name

  • Hexanoic acid, 1-methyl-2-((3-(4-methylphenyl)-1-oxo-2-propenyl)oxy)propyl ester

Registry Numbers

CAS Registry Number

  • 84006-37-1

System Generated Number

  • 0084006371

Structure Descriptors

InChI

1S/C20H28O4/c1-5-6-7-8-19(21)23-16(3)17(4)24-20(22)14-13-18-11-9-15(2)10-12-18/h9-14,16-17H,5-8H2,1-4H3/b14-13+

InChIKey

NHRNEQWXPRHBEL-BUHFOSPRSA-N

Smiles

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

Toxicity

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