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Substance Name: Triheptanoin
RN: 620-67-7
UNII: 2P6O7CFW5K
InChIKey: PJHKBYALYHRYSK-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C24-H44-O6

Molecular Weight

  • 428.6056
 
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Names and Synonyms

Name of Substance

  • Triheptanoin

Synonyms

  • 3-02-00-00769 (Beilstein Handbook Reference)
  • BRN 1807724
  • Dermofeel TC 7
  • EC 210-647-2
  • EINECS 210-647-2
  • Glycerol triheptanoate
  • Glyceryl triheptanoate
  • Lanol 37T
  • Trienanthoin
  • Triheptanoic glyceride
  • Triheptanoin
  • Triheptylin
  • Trioenanthoin
  • UNII-2P6O7CFW5K
  • UX007

Systematic Names

  • Glycerol triheptanoate
  • Heptanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
  • Heptanoic acid, 1,2,3-propanetriyl ester (9CI)
  • Heptanoin, tri- (6CI,7CI,8CI)
  • Propane-1,2,3-triyl trisheptanoate

Registry Numbers

CAS Registry Number

  • 620-67-7

FDA UNII

  • 2P6O7CFW5K

System Generated Number

  • 0000620677

Structure Descriptors

InChI

1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3

InChIKey

PJHKBYALYHRYSK-UHFFFAOYSA-N

Smiles

CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Acta Physiologica Scandinavica. Vol. 40, Pg. 338, 1957.