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Substance Name: 1-Hexanol, 6-((3-hydroxypropyl)amino)-, dipropanesulfonate (ester), hydrochloride
RN: 61556-97-6
InChIKey: WIBMFSAUKWKSOU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H33-N-O6-S2.Cl-H

Molecular Weight

  • 424.02
 
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Names and Synonyms

Synonym

  • 6-((3-Hydroxypropyl)amino)-1-hexanol dipropanesulfonate hydrochloride

Systematic Name

  • 1-Hexanol, 6-((3-hydroxypropyl)amino)-, dipropanesulfonate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 61556-97-6

System Generated Number

  • 0061556976

Molecular Formulas

Molecular Formula

  • C15-H33-N-O6-S2.Cl-H

Molecular Formula Fragments

  • C15-H33-N-O6-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H33NO6S2.ClH/c1-3-14-23(17,18)21-12-8-6-5-7-10-16-11-9-13-22-24(19,20)15-4-2;/h16H,3-15H2,1-2H3;1H

InChIKey

WIBMFSAUKWKSOU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 137mg/kg (137mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 515, 1977.