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Substance Name: Undecanoic acid, 1-methyl-2-((1-oxooctyl)oxy)propyl ester
RN: 84016-00-2
InChIKey: SRGXWNCVDLSBEK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H44-O4

Molecular Weight

  • 384.5966
 
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Names and Synonyms

Synonyms

  • 1-Methyl-2-((1-oxooctyl)oxy)propyl undecanoate
  • 1-Octanone, 6-(3-hydroxy-2-butyloxy)-, undecanoate

Systematic Name

  • Undecanoic acid, 1-methyl-2-((1-oxooctyl)oxy)propyl ester

Registry Numbers

CAS Registry Number

  • 84016-00-2

System Generated Number

  • 0084016002

Structure Descriptors

InChI

1S/C23H44O4/c1-5-7-9-11-12-13-15-17-19-23(25)27-21(4)20(3)26-22(24)18-16-14-10-8-6-2/h20-21H,5-19H2,1-4H3

InChIKey

SRGXWNCVDLSBEK-UHFFFAOYSA-N

Smiles

CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)CCCCCCC

Toxicity

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