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Substance Name: Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride
RN: 61556-87-4
InChIKey: YENVYWUSROCXEQ-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

  • 2,2'-Iminodiethanol dibutanesulfonate hydrochloride

Systematic Name

  • Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 61556-87-4

System Generated Number

  • 0061556874

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

InChIKey

YENVYWUSROCXEQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 750mg/kg (750mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 515, 1977.