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Substance Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-, 5-nitrate, monohydrochloride
RN: 81786-57-4
InChIKey: FZPLFOBEKAXDOL-BTXUNPJVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N2-O6.Cl-H

Molecular Weight

  • 374.8187
 
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Names and Synonyms

Synonyms

  • 1,4:3,6-Dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-L-iditol 5-nitrate monohydrochloride
  • 5-(4-Phenoxybutylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid
  • 5-(4-Phenoxybutylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid [German]

Systematic Name

  • L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((4-phenoxybutyl)amino)-, 5-nitrate, monohydrochloride

Registry Numbers

CAS Registry Number

  • 81786-57-4

System Generated Number

  • 0081786574

Molecular Formulas

Molecular Formula

  • C16-H22-N2-O6.Cl-H

Molecular Formula Fragments

  • C16-H22-N2-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22N2O6.ClH/c19-18(20)24-14-11-23-15-13(10-22-16(14)15)17-8-4-5-9-21-12-6-2-1-3-7-12;/h1-3,6-7,13-17H,4-5,8-11H2;1H/t13-,14-,15+,16+;/m0./s1

InChIKey

FZPLFOBEKAXDOL-BTXUNPJVSA-N

Smiles

c1ccc(cc1)OCCCCN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[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,