NAV

Hexasodium phytate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Hexasodium phytate
DrugBank Accession Number
DB18232
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 791.919
Monoisotopic: 791.75303893
Chemical Formula
C6H12Na6O24P6
Synonyms
  • (1r,2r,3s,4s,5r,6s)-cyclohexane-1,2,3,4,5,6-hexayl-hexakis(dihydrogen phosphate)
  • Hexasodium fytate
  • Inositol, hexakis(dihydrogen phosphate) hexasodium salt, myo-
  • Myo-inositol, hexakis(dihydrogen phosphate), hexasodium salt
External IDs
  • SNF-472
  • SNF472
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
ZBX50UG81V
CAS number
34367-89-0
InChI Key
DHZIAGCFFSRULK-BQYPOXACSA-H
InChI
InChI=1S/C6H18O24P6.6Na/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,(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;6*+1/p-6/t1-,2-,3+,4+,5-,6-;;;;;;
IUPAC Name
hexasodium (1R,2R,3S,4R,5s,6S)-2,3,4,5,6-pentakis(hydrogen phosphonatooxy)cyclohexyl hydrogen phosphate
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OP([O-])(=O)O[C@H]1[C@H](OP(O)([O-])=O)[C@@H](OP(O)([O-])=O)[C@H](OP(O)([O-])=O)[C@H](OP(O)([O-])=O)[C@@H]1OP(O)([O-])=O

References

General References
Not Available
ChemSpider
52082972
RxNav
1730445

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentCalcific Uremic Arteriolopathy (CUA) / Calciphylaxis1
2CompletedTreatmentCalcific Uremic Arteriolopathy (CUA) / Calciphylaxis1
2CompletedTreatmentCalcifications, Vascular / Cardiovascular Abnormalities / Cardiovascular Disease (CVD) / Coronary Artery Calcifications / End Stage Renal Disease (ESRD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP-4.5Chemaxon
pKa (Strongest Acidic)0.14Chemaxon
Physiological Charge-6Chemaxon
Hydrogen Acceptor Count18Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area417.54 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity94.28 m3·mol-1Chemaxon
Polarizability41.25 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 14, 2023 20:31 / Updated at September 15, 2023 10:39