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Substance Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((3-(2,6-dimethoxyphenoxy)propyl)amino)-, 5-nitrate, hydrochloride, hydrate (2:2:1)
RN: 81785-41-3
InChIKey: YKKDTWSYDJOTRA-IFBVMZDPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H24-N2-O8.Cl-H.1/2H2-O

Molecular Weight

  • 420.8435
 
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Names and Synonyms

Synonym

  • 5-(3-(2,6-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-(2,6-dimethoxyphenoxy)propyl)amino)-, 5-nitrate, hydrochloride, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 81785-41-3

System Generated Number

  • 0081785413

Molecular Formulas

Molecular Formula

  • C17-H24-N2-O8.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C17-H24-N2-O8
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H24N2O8.ClH/c1-22-12-5-3-6-13(23-2)16(12)24-8-4-7-18-11-9-25-17-14(27-19(20)21)10-26-15(11)17;/h3,5-6,11,14-15,17-18H,4,7-10H2,1-2H3;1H/t11-,14-,15+,17+;/m0./s1

InChIKey

YKKDTWSYDJOTRA-IFBVMZDPSA-N

Smiles

COc1cccc(c1OCCCN[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 50mg/kg (50mg/kg)   European Patent Application. Vol. #0044940,