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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester
RN: 84006-64-4
InChIKey: HSGVVCNYPHWWGD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H30-O7

Molecular Weight

  • 382.45
 
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Names and Synonyms

Synonym

  • 1-Methyl-2-((1-oxohexyl)oxy)propyl 3,4,5-trimethoxybenzoate

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester

Registry Numbers

CAS Registry Number

  • 84006-64-4

System Generated Number

  • 0084006644

Structure Descriptors

InChI

1S/C20H30O7/c1-7-8-9-10-18(21)26-13(2)14(3)27-20(22)15-11-16(23-4)19(25-6)17(12-15)24-5/h11-14H,7-10H2,1-6H3

InChIKey

HSGVVCNYPHWWGD-UHFFFAOYSA-N

Smiles

CCCCCC(=O)OC(C)C(C)OC(=O)c1cc(c(c(c1)OC)OC)OC

Toxicity

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