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Substance Name: Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester
RN: 84006-71-3
InChIKey: KMVAUNKHVKIFEQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H38-O4

Molecular Weight

  • 390.5602
 
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Names and Synonyms

Synonym

  • 1-Methyl-2-((1-oxoundecyl)oxy)propyl benzenepropanoate

Systematic Name

  • Benzenepropanoic acid, 1-methyl-2-((1-oxoundecyl)oxy)propyl ester

Registry Numbers

CAS Registry Number

  • 84006-71-3

System Generated Number

  • 0084006713

Structure Descriptors

InChI

1S/C24H38O4/c1-4-5-6-7-8-9-10-14-17-23(25)27-20(2)21(3)28-24(26)19-18-22-15-12-11-13-16-22/h11-13,15-16,20-21H,4-10,14,17-19H2,1-3H3

InChIKey

KMVAUNKHVKIFEQ-UHFFFAOYSA-N

Smiles

CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)CCc1ccccc1

Toxicity

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