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Substance Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((2-hydroxy-3-(4-methoxyphenoxy)propyl)amino)-, 5-nitrate, monohydrochloride
RN: 81786-62-1
InChIKey: WBINXORYXODKIX-DAABYYIQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N2-O8.Cl-H

Molecular Weight

  • 406.8167
 
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Names and Synonyms

Synonym

  • 5-(2-Hydroxy-3-(4-methoxyphenoxy)-propylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81786-62-1

System Generated Number

  • 0081786621

Molecular Formulas

Molecular Formula

  • C16-H22-N2-O8.Cl-H

Molecular Formula Fragments

  • C16-H22-N2-O8
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22N2O8.ClH/c1-22-11-2-4-12(5-3-11)23-7-10(19)6-17-13-8-24-16-14(26-18(20)21)9-25-15(13)16;/h2-5,10,13-17,19H,6-9H2,1H3;1H/t10?,13-,14-,15+,16+;/m0./s1

InChIKey

WBINXORYXODKIX-DAABYYIQSA-N

Smiles

COc1ccc(cc1)OCC(CN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   European Patent Application. Vol. #0044940,