Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Hexanol, 6-((3-hydroxypropyl)amino)-, diethanesulfonate (ester), hydrochloride
RN: 61556-96-5
InChIKey: XNEVMEXMONCMFW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H29-N-O6-S2.Cl-H

Molecular Weight

  • 395.966
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61556-96-5

System Generated Number

  • 0061556965

Molecular Formulas

Molecular Formula

  • C13-H29-N-O6-S2.Cl-H

Molecular Formula Fragments

  • C13-H29-N-O6-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H29NO6S2.ClH/c1-3-21(15,16)19-12-8-6-5-7-10-14-11-9-13-20-22(17,18)4-2;/h14H,3-13H2,1-2H3;1H

InChIKey

XNEVMEXMONCMFW-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 61mg/kg (61mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 515, 1977.