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Substance Name: myo-Inositol, hexakis(hydrogen sulfate), hexasodium salt
RN: 70701-62-1
InChIKey: MILACANLZVOKPK-BQYPOXACSA-H

Molecular Formula

  • C6-H6-O18-S6.6Na

Molecular Weight

  • 792.4254
 
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Names and Synonyms

Synonym

  • Inositol hexasulfate sodium salt

Systematic Name

  • myo-Inositol, hexakis(hydrogen sulfate), hexasodium salt

Registry Numbers

CAS Registry Number

  • 70701-62-1

Related Registry Number

  • 23330-83-8 (Parent)

System Generated Number

  • 0070701621

Molecular Formulas

Molecular Formula

  • C6-H6-O18-S6.6Na

Molecular Formula Fragments

  • C6-H6-O18-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C6H12O24S6.6Na/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;/h1-6H,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24);;;;;;/q;6*+1/p-6/t1-,2-,3-,4+,5-,6-;;;;;;

InChIKey

MILACANLZVOKPK-BQYPOXACSA-H

Smiles

[C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4207339,
mouse LD50 subcutaneous > 2500mg/kg (2500mg/kg)   United States Patent Document. Vol. #4207339,
rat LD50 oral > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4207339,
rat LD50 subcutaneous > 2500mg/kg (2500mg/kg)   United States Patent Document. Vol. #4207339,