Catalogue Number
BN-O1364
Analysis Method
Specification
98%(HPLC)
Storage
2-8°C
Molecular Weight
360.91
Appearance
Botanical Source
Structure Type
Category
SMILES
C(P(=O)(O)[O-])(P(=O)(O)[O-])(Cl)Cl.O.O.O.O.[Na+].[Na+]
Synonyms
Sodium (dichloromethylene)bis[hydrogen (phosphonate)] hydrate (2:1:4)/Phosphonic acid, (dichloromethylene)bis-, sodium salt, hydrate (1:2:4)/Disodium clodronate tetrahydrate/clodronate disodium tetrahydrate/Clodronate Disodium
IUPAC Name
disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;tetrahydrate
Density
Solubility
Flash Point
Boiling Point
Melting Point
InChl
InChl Key
XWHPUCFOTRBMGS-UHFFFAOYSA-L
WGK Germany
RID/ADR
HS Code Reference
Personal Projective Equipment
Correct Usage
For Reference Standard and R&D, Not for Human Use Directly.
Meta Tag
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No Technical Documents Available For This Product.
9487556
PURPOSE:
31P CP/MAS NMR is used to characterize stability and changes in solid state properties of disodium clodronate tetrahydrate upon variable temperature and slow dehydration.
METHODS:
Variable temperature 31P CP/MAS NMR spectroscopy.
RESULTS:
A fast rise in temperature leads to loss of lattice waters and produces an averaged structure characterized by a single 31P NMR resonance at 398 K. Slow room temperature dehydration converts the crystalline form to an anhydrous structure with two non-equivalent phosphorus atoms. The molecular skeleton of clodronate is stable within the temperature range 296 K-398 K of experiments. Rehydration of the anhydrous samples at room temperature restores the crystalline tetrahydrate form verified by a 31P CP/MAS NMR spectrum similar to that of a virginal sample.
CONCLUSIONS:
Solid state NMR is a method which can offer both molecular and crystal scale information, when either bulk or dosage forms of a drug can be altered by temperature or by loss of lattice waters or solvents. The experiments are easy to perform, though time consuming, especially when low abundant nuclei are examined.
A 31P CP/MAS NMR study on dehydration of disodium clodronate tetrahydrate.
Timonen JT1, Pohjala E, Nikander H, Pakkanen TT.
1998 Jan
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