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Substance Name: 1-Hexanol, 6-((2-hydroxyethyl)amino)-, dipropanesulfonate (ester), hydrochloride
RN: 61556-93-2
InChIKey: HYPVPPIVXBHYDO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H31-N-O6-S2.Cl-H

Molecular Weight

  • 409.993
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61556-93-2

System Generated Number

  • 0061556932

Molecular Formulas

Molecular Formula

  • C14-H31-N-O6-S2.Cl-H

Molecular Formula Fragments

  • C14-H31-N-O6-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H31NO6S2.ClH/c1-3-13-22(16,17)20-11-8-6-5-7-9-15-10-12-21-23(18,19)14-4-2;/h15H,3-14H2,1-2H3;1H

InChIKey

HYPVPPIVXBHYDO-UHFFFAOYSA-N

Smiles

S(OCCCCCC[NH2+]CCOS(CCC)(=O)=O)(CCC)(=O)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 225mg/kg (225mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 515, 1977.