| Identification | More | [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 Properties | Back 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 | [InChI]
InChI=1S/C4H13NO7P2.Na.3H2O/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;;;;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);;3*1H2/q;+1;;;/p-1 | [InChIKey]
NKENDYHBVCKCNL-UHFFFAOYSA-M | [SMILES]
C(O)(CCCN)(P([O-])(=O)O)P(=O)(O)O.[Na+].O.O.O | [CAS DataBase Reference]
121268-17-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P301+P312+P330 | [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 Information | Back 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 | [References]
[1] Structural Chemistry, 2018, vol. 29, # 5, p. 1525 - 1531
[2] Patent: WO2005/44831, 2005, A2. Location in patent: Page/Page column 11
[3] Patent: US2007/66569, 2007, A1. Location in patent: Page/Page column 2
[4] Patent: WO2007/56417, 2007, A2. Location in patent: Page/Page column 4
[5] Patent: WO2008/35131, 2008, A1. Location in patent: Page/Page column 7 |
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