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Substance Name: Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester
RN: 84006-63-3
InChIKey: VOOVQBNBWASLBG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-O5

Molecular Weight

  • 322.3984
 
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Names and Synonyms

Synonym

  • 1-Methyl-2-((1-oxohexyl)oxy)propyl 4-methoxybenzoate

Systematic Name

  • Benzoic acid, 4-methoxy-, 1-methyl-2-((1-oxohexyl)oxy)propyl ester

Registry Numbers

CAS Registry Number

  • 84006-63-3

System Generated Number

  • 0084006633

Structure Descriptors

InChI

1S/C18H26O5/c1-5-6-7-8-17(19)22-13(2)14(3)23-18(20)15-9-11-16(21-4)12-10-15/h9-14H,5-8H2,1-4H3

InChIKey

VOOVQBNBWASLBG-UHFFFAOYSA-N

Smiles

CCCCCC(=O)OC(C)C(C)OC(=O)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,