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Alendronate sodium trihydrate

CAT: 0013-GTR19171907-01Size: 50 mgDry Ice: NoHazardous: No
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Description
Alendronate sodium hydrate is a nitrogenous bisphosphonate that potently inhibits osteoclast-mediated bone resorption. It is widely used in osteoporosis research, with established applications in both in vitro assays of osteoclast activity and in vivo models for studying bone density and fracture prevention.
CAS Number
121268-17-5
Product Name Alternative
Farnesyl diphosphate synthase, G704650, G-704650 Adronat, G 704650, MK217, MK-217, Alendronate sodium
Field of Research
Metabolism Research
Purity
99.59% (May vary between batches)
Solubility
DMSO:Slightly soluble; H2O:28.57 mg/mL (87.88 mM)
Smiles
C (CC (O) (P (=O) (O) O) P (=O) (O) [O-]) CN.O.[Na+].O.O
Molecular Formula
C4H12NO7P2·3H2O·Na
Molecular Weight
325.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alendronate Sodium

Alendronate sodium trihydrate is a hydride that is the trihydrate of alendronate sodium. It has a role as an EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor and a bone density conservation agent. It is a hydrate and an organic sodium salt. It contains an alendronate(1-).

CAS Number121268-17-5
PubChem CID23681107
IUPAC Namesodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrate
Molecular FormulaC4H18NNaO10P2
Molecular Weight325.12
Topological Polar Surface Area167
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity293
SMILES
C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.O.O.O.[Na+]
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
DCSBSVSZJRSITC-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Alendronate Sodium
CAS: 121268-17-5
CID: 23681107
Formula: C4H18NNaO10P2
MW: 325.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.12
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass325.03036405
Monoisotopic Mass325.03036405
Topological Polar Surface Area167 Ų
Heavy Atom Count18
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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