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Substance Name: Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester
RN: 84006-66-6
InChIKey: DUMPPIKGTGVYAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H34-O4

Molecular Weight

  • 362.5066
 
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Names and Synonyms

Synonym

  • 2-(Benzoyloxy)-1-methylpropyl undecanoate

Systematic Name

  • Undecanoic acid, 2-(benzoyloxy)-1-methylpropyl ester

Registry Numbers

CAS Registry Number

  • 84006-66-6

System Generated Number

  • 0084006666

Structure Descriptors

InChI

1S/C22H34O4/c1-4-5-6-7-8-9-10-14-17-21(23)25-18(2)19(3)26-22(24)20-15-12-11-13-16-20/h11-13,15-16,18-19H,4-10,14,17H2,1-3H3

InChIKey

DUMPPIKGTGVYAF-UHFFFAOYSA-N

Smiles

CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)c1ccccc1

Toxicity

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