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Substance Name: Sodium inositol hexaphosphate
RN: 14306-25-3
InChIKey: AXZYGIPYNXQTON-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H18-O24-P6.x-Na

Molecular Weight

  • 682.01
 
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Names and Synonyms

Results Name

  • Sodium inositol hexaphosphate

Synonyms

  • CCRIS 3271
  • EINECS 238-242-6
  • Inositol hexaphosphate sodium salt
  • Phytic acid sodium salt
  • Sodium inositol hexaphosphate
  • Sodium phytate

Systematic Names

  • Hexakis(dihydrogen phosphate) myo-inositol sodium salt (9CI)
  • Inositol, hexakis(dihydrogen phosphate) sodium salt, myo-
  • Myo-Inositol, hexakis(dihydrogen phosphate), sodium salt
  • Sodium inositol hexaphosphate

Registry Numbers

CAS Registry Number

  • 14306-25-3

System Generated Number

  • 0014306253

Molecular Formulas

Molecular Formula

  • C6-H18-O24-P6.x-Na

Molecular Formula Fragments

  • C6-H18-O24-P6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C6H18O24P6.Na/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,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);/q;+1/p-1

InChIKey

AXZYGIPYNXQTON-UHFFFAOYSA-M

Smiles

P(OC1[C@@H]([C@@H](C(OP(O)(=O)[O-])[C@@H]([C@@H]1OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)(O)(O)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intraperitoneal 400mg/kg (400mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
guinea pig LDLo subcutaneous 4gm/kg (4000mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
mouse LD50 intraperitoneal 83mg/kg (83mg/kg)   Pharmaceutical Sciences. Vol. 1, Pg. 311, 1995.
rabbit LDLo intravenous 23mg/kg (23mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rabbit LDLo subcutaneous 1400mg/kg (1400mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rat LD50 intraperitoneal 195mg/kg (195mg/kg)   French Demande Patent Document. Vol. #2515042,