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Substance Name: 1-Hexanol, 6-((2-hydroxyethyl)amino)-, dibutanesulfonate (ester), hydrochloride
RN: 61556-94-3
InChIKey: QWSDWSDVNCUJCB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H35-N-O6-S2.Cl-H

Molecular Weight

  • 438.046
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61556-94-3

System Generated Number

  • 0061556943

Molecular Formulas

Molecular Formula

  • C16-H35-N-O6-S2.Cl-H

Molecular Formula Fragments

  • C16-H35-N-O6-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H35NO6S2.ClH/c1-3-5-15-24(18,19)22-13-10-8-7-9-11-17-12-14-23-25(20,21)16-6-4-2;/h17H,3-16H2,1-2H3;1H

InChIKey

QWSDWSDVNCUJCB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 515, 1977.