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Substance Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((2-hydroxy-3-(3- (trifluoromethyl)phenoxy)propyl)amino)-, 5-nitrate, monohydrochloride
RN: 81785-30-0
InChIKey: SJXPGFMHKNXWRK-TYYGFZGDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-F3-N2-O7.Cl-H

Molecular Weight

  • 444.788
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 81785-30-0

System Generated Number

  • 0081785300

Molecular Formulas

Molecular Formula

  • C16-H19-F3-N2-O7.Cl-H

Molecular Formula Fragments

  • C16-H19-F3-N2-O7
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19F3N2O7.ClH/c17-16(18,19)9-2-1-3-11(4-9)25-6-10(22)5-20-12-7-26-15-13(28-21(23)24)8-27-14(12)15;/h1-4,10,12-15,20,22H,5-8H2;1H/t10?,12-,13-,14+,15+;/m0./s1

InChIKey

SJXPGFMHKNXWRK-TYYGFZGDSA-N

Smiles

c1cc(cc(c1)OCC(CN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])O)C(F)(F)F.Cl

Toxicity

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