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Substance Name: Pentaerythritol, dibenzenesulfonate
RN: 2572-59-0
InChIKey: QQBPWEUZTBTTFD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-O8-S2

Molecular Weight

  • 416.469
 
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Names and Synonyms

Synonyms

  • 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, dibenzenesulfonate
  • BRN 2399264

Systematic Name

  • Pentaerythritol, dibenzenesulfonate

Registry Numbers

CAS Registry Number

  • 2572-59-0

System Generated Number

  • 0002572590

Structure Descriptors

InChI

1S/C17H20O8S2/c18-11-17(12-19,13-24-26(20,21)15-7-3-1-4-8-15)14-25-27(22,23)16-9-5-2-6-10-16/h1-10,18-19H,11-14H2

InChIKey

QQBPWEUZTBTTFD-UHFFFAOYSA-N

Smiles

C(C(COS(=O)(=O)c1ccccc1)(CO)CO)OS(=O)(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2015mg/kg (2015mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA
Dissertationes Pharmaceuticae. Vol. 14, Pg. 361, 1962.