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Substance Name: 1-Hexanol, 6-((2-hydroxyethyl)amino)-, diethanesulfonate (ester), hydrochloride
RN: 61556-92-1
InChIKey: PSNUUGIGXJKHNE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H27-N-O6-S2.Cl-H

Molecular Weight

  • 381.939
 
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Names and Synonyms

Synonym

  • 6-((2-Hydroxyethyl)amino)-1-hexanol diethanesulfonate hydrochloride

Systematic Name

  • 1-Hexanol, 6-((2-hydroxyethyl)amino)-, diethanesulfonate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 61556-92-1

System Generated Number

  • 0061556921

Molecular Formulas

Molecular Formula

  • C12-H27-N-O6-S2.Cl-H

Molecular Formula Fragments

  • C12-H27-N-O6-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H27NO6S2.ClH/c1-3-20(14,15)18-11-8-6-5-7-9-13-10-12-19-21(16,17)4-2;/h13H,3-12H2,1-2H3;1H

InChIKey

PSNUUGIGXJKHNE-UHFFFAOYSA-N

Smiles

O(CCCCCC[NH2+]CCOS(CC)(=O)=O)S(CC)(=O)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 285mg/kg (285mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 515, 1977.