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Substance Name: Tripelargonin
RN: 126-53-4
UNII: 7QCU1321U4
InChIKey: YRIMSXJXBHUHJT-UHFFFAOYSA-N

Molecular Formula

  • C30-H56-O6

Molecular Weight

  • 512.766
 
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Names and Synonyms

Name of Substance

  • Tripelargonin

Synonyms

  • 4-02-00-01021 (Beilstein Handbook Reference)
  • AI3-22998
  • BRN 1809503
  • EINECS 204-791-5
  • Glycerol tripelargonate
  • Glyceryl pelargonate
  • Glyceryl tripelargonate
  • NSC 5647
  • Trinonanoate
  • Trinonanoin
  • Trinonylin
  • Tripelargoin
  • Tripelargonin
  • UNII-7QCU1321U4

Systematic Names

  • Nonanoic acid, 1,2,3-propanetriyl ester
  • Nonanoin, tri- (6CI,7CI,8CI)
  • Propane-1,2,3-triyl trinonan-1-oate

Registry Numbers

CAS Registry Number

  • 126-53-4

FDA UNII

  • 7QCU1321U4

System Generated Number

  • 0000126534

Structure Descriptors

InChI

1S/C30H56O6/c1-4-7-10-13-16-19-22-28(31)34-25-27(36-30(33)24-21-18-15-12-9-6-3)26-35-29(32)23-20-17-14-11-8-5-2/h27H,4-26H2,1-3H3

InChIKey

YRIMSXJXBHUHJT-UHFFFAOYSA-N

Smiles

C(OC(CCCCCCCC)=O)(COC(CCCCCCCC)=O)COC(CCCCCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 10gm/kg (10000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: IRRITABILITY
Acta Physiologica Scandinavica. Vol. 40, Pg. 338, 1957.