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Substance Name: Pentaerythritol, dibenzoate
RN: 76597-90-5
InChIKey: JJUSZGHCZMBOEQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-O6

Molecular Weight

  • 344.361
 
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Names and Synonyms

Synonyms

  • 1,3-Propanediol, 2-((benzoyloxy)methyl)-2-(hydroxymethyl)-, 1-benzoate
  • 3-09-00-00688 (Beilstein Handbook Reference)
  • BRN 2000379
  • Dwubenzoesan pentaery trytu
  • Dwubenzoesan pentaery trytu [Polish]
  • Pentaerythrite dibenzoate

Systematic Name

  • Pentaerythritol, dibenzoate

Registry Numbers

CAS Registry Number

  • 76597-90-5

System Generated Number

  • 0076597905

Structure Descriptors

InChI

1S/C19H20O6/c20-11-19(12-21,13-24-17(22)15-7-3-1-4-8-15)14-25-18(23)16-9-5-2-6-10-16/h1-10,20-21H,11-14H2

InChIKey

JJUSZGHCZMBOEQ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)OCC(CO)(CO)COC(=O)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1320mg/kg (1320mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA
Dissertationes Pharmaceuticae. Vol. 14, Pg. 361, 1962.
rat LD50 intraperitoneal 1450mg/kg (1450mg/kg)   Dissertationes Pharmaceuticae. Vol. 15, Pg. 1, 1963.