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121268-17-5

121268-17-5 Structure

121268-17-5 Structure
IdentificationMore
[Name]

Alendronate sodium
[CAS]

121268-17-5
[Synonyms]

4-AMINO-1-HYDROXYBUTYLIDINE-1,1-BISPHOSPHONATE SODIUM SALT TRIHYDRATE
ADRONAT
ALENDRONATE SODIUM SALT
ALENDRONATE, SODIUM SALT TRIHYDRATE
ALENDRONATE SODIUM TRIHYDRATE
ALENDRONIC ACID, MONOSODIUM SALT, TRIHYDRATE
ALENDRONNATE SODIUM TRIHYDRATE
G-704650
MK-217
SODIUM, 4-AMINO-1-HYDROXY-1-PHOSPHONO-BUTANE-1-PHOSPHONATE TRIHYDRATE
(4-amino-1-hydroxybutylidene)bis-phosphonicacimonosodiumsalt
aminohydroxybutylidenebiphosphonatemonosodiumsalt
monosodium(4-amino-1-hydroxybutylidene)bisphosphonate
sodium(4-amino-1-hydroxybutylidene)bisphosphonate
Alendronate Monosodium Trihydrate
ALENDRONATE SODIUM 3-HYDRATE
Alendronate Sodium (Fosamax)
MK-217, G-704650, Adronat
ALENDRONATESODIUM,EP
4-Amino-1-hydroxybutylidene-1,1-bisphosphonic acid monosodium salt
[EINECS(EC#)]

601-766-4
[Molecular Formula]

C4H13NNaO7P2
[MDL Number]

MFCD01748233
[Molecular Weight]

272.09
[MOL File]

121268-17-5.mol
Chemical PropertiesBack Directory
[Appearance]

White Crystalline Solid
[Melting point ]

245°C
[storage temp. ]

−20°C
[solubility ]

water, double-distilled: 10 mg/mL
[form ]

solid
[color ]

white
[Water Solubility ]

Soluble in water at 10mg/ml
[Usage]

A bisphosphonate used as a bone reabsoption inhibitor
[Merck ]

14,229
[Stability:]

Store in freezer
[InChIKey]

NKENDYHBVCKCNL-UHFFFAOYSA-M
[CAS DataBase Reference]

121268-17-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

SZ6523500
[HS Code ]

29319099
Hazard InformationBack Directory
[Chemical Properties]

White Crystalline Solid
[Originator]

Adronat ,Neopharmed ,Italy
[Uses]

A bisphosphonate used as a bone reabsoption inhibitor
[Uses]

dopamine receptor agonist, antiParkinsonian
[Uses]

Inhibits bone resorption and increases bone density.
[Definition]

ChEBI: A hydride that is the trihydrate of alendronate sodium
[Manufacturing Process]

4-Amino-1-hydroxybutylidene-1,1-diphosphonic acid (ABDT).
Orthosphophorous acid (102.7 g; 1.25 moles) is introduced into a 2 liter-flask with condenser, stirrer and dropping funnel, placed on a thermostatized bath; the air is then removed with a nitrogen stream which is continued during all the reaction. The acid is melted by heating the bath to 95°C. When melting is complete, 4-aminobutyric acid (103.3; 1 mole) is added under stirring which is continued till obtaining a doughy fluid. Phosphorous trihalide (176 ml; 2 moles) is added dropwise causing the mixture to boil and evolution of gaseous hydrochloric acid which is damped by means of a suitable trap. The addition rate is adjusted so as to keep a constant reflux for about 60 minutes. When the addition is nearly over, the mixture swells, slowly hardening. Stirring is continued as long as possible, whereafter the mixture is heated for further 3 hours. Without cooling, but removing the bath, water (300 ml) is added, first slowly and then quickly. Heating and stirring are started again. Decolorizing charcoal is added and the mixture is boiled for about 5 minutes, then hotfiltered on paper and the filtrate is refluxed for 6 hours. After cooling is slowly poured in stirred methanol (1500 ml) causing thereby the separation of a white solid which collected and dried (161 g; 64.6%). The structure of ABDT is confirmed by IR spectrum, proton magnetic and nuclear magnetic resonance spectrum and elemental analysis.
The sodium salt of this acid may be prepared by adding of equivalent of sodium hydroxide.
[Brand name]

Fosamax (Merck).
[Therapeutic Function]

Antiosteoporotic
[General Description]

Alendronate Sodium, an aminobisphosphonate compound, has been effectively used for the treatment of osteolysis, Paget′s disease and osteoporosis.
[Biochem/physiol Actions]

Alendronate sodium trihydrate is a bone resorption inhibitor; farnesyl diphosphate synthase inhibitor (IC50 = 460 nM); CD45 protein tyrosine phosphatase inhibitor.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Alendronate sodium(121268-17-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

121268-17-5(sigmaaldrich)
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