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Substance Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((3-(3,5-dimethoxyphenoxy)propyl)amino)-, 5-nitrate, monohydrochloride
RN: 81785-42-4
InChIKey: UEKNBLFFZPJYTE-LOPIXSETSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H24-N2-O8.Cl-H

Molecular Weight

  • 420.8435
 
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Names and Synonyms

Synonym

  • 5-(3-(3,5-Dimethoxyphenoxy)-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-((3-(3,5-dimethoxyphenoxy)propyl)amino)-, 5-nitrate, monohydrochloride

Registry Numbers

CAS Registry Number

  • 81785-42-4

System Generated Number

  • 0081785424

Molecular Formulas

Molecular Formula

  • C17-H24-N2-O8.Cl-H

Molecular Formula Fragments

  • C17-H24-N2-O8
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H24N2O8.ClH/c1-22-11-6-12(23-2)8-13(7-11)24-5-3-4-18-14-9-25-17-15(27-19(20)21)10-26-16(14)17;/h6-8,14-18H,3-5,9-10H2,1-2H3;1H/t14-,15-,16+,17+;/m0./s1

InChIKey

UEKNBLFFZPJYTE-LOPIXSETSA-N

Smiles

COc1cc(cc(c1)OCCCN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])OC.Cl

Toxicity

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