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Substance Name: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride
RN: 81801-87-8
InChIKey: SGDIZXPBEUDLBU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N2-O5.Cl-H

Molecular Weight

  • 358.8197
 
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Names and Synonyms

Synonyms

  • 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-D-glucitol 5-nitrate monohydrochloride
  • 2-(4-Phenylbutylamino)-2-desoxy-1,4:3,6-dianhydro-D-glucit-5-nitrat-hydrochlorid
  • 2-(4-Phenylbutylamino)-2-desoxy-1,4:3,6-dianhydro-D-glucit-5-nitrat-hydrochlorid [German]

Systematic Name

  • D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-((4-phenylbutyl)amino)-, 5-nitrate, monohydrochloride

Registry Numbers

CAS Registry Number

  • 81801-87-8

System Generated Number

  • 0081801878

Molecular Formulas

Molecular Formula

  • C16-H22-N2-O5.Cl-H

Molecular Formula Fragments

  • C16-H22-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22N2O5.ClH/c19-18(20)23-14-11-22-15-13(10-21-16(14)15)17-9-5-4-8-12-6-2-1-3-7-12;/h1-3,6-7,13-17H,4-5,8-11H2;1H

InChIKey

SGDIZXPBEUDLBU-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCCCNC2COC3C2OCC3O[N+](=O)[O-].Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   European Patent Application. Vol. #0044940,