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Alendronate sodium hydrate

CAT: 1410-M10794-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Alendronate sodium hydrate (Alendronate; MK 217; G-704650 Adronat) is a bisphosphonate that acts as a specific inhibitor of osteoclastmediated bone resorption.
CAS Number
121268-17-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
325.1237
Molecular Formula
C4H18NNaO10P2
Notes
Research use only, not for human use.
Receptor
Farnesyldiphosphatesynthase

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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Alternative Products

CatalogName
PC109057-01Alendronate Sodium Hydrate
HY-11101-01Alendronate (sodium hydrate)
A10050-500Alendronate sodium hydrate 500mg
A10050-100Alendronate sodium hydrate 100mg
HY-11101SAlendronate-d6 (sodium hydrate)
HY-11101R-01Alendronate (sodium hydrate) (Standard)
A10050-50Alendronate sodium hydrate 50mg
A10050-200Alendronate sodium hydrate 200mg
A8359-5.1Alendronate sodium
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