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Zoledronate trisodium hydrate

CAT: 0931-T70305-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70305-01Size:25 mg
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CAS Number
165800-08-8
Target
Others
Related Pathways
Others
Bioactivity
Zoledronate trisodium is a Bone Resorption Inhibitor and Osteoporosis Therapy Adjunct
Smiles
O.[Na+].[Na+].[Na+].OP([O-])(=O)C([O-])(Cn1ccnc1)P(O)([O-])=O
Molecular Formula
C25H39N10Na15O37P10
Molecular Weight
1726.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Zoledronate Trisodium

Zoledronate Trisodium is the trisodium salt form of zoledronate, a synthetic imidazole, third generation bisphosphonate analog of pyrophosphate with antiresorptive activity. Zoledronate binds to hydroxyapatite crystals in the bone matrix and inhibits farnesyl pyrophosphate (diphosphate) synthase, thereby preventing protein prenylation within the mevalonate pathway. This leads to the loss of downstream metabolites essential for osteoclast function, leading to the induction of apoptosis and eventually, osteoclast-cell death. By preventing osteoclast-mediated bone resorption, zoledronate decreases bone turnover and stabilizes the bone matrix.

CAS Number165800-08-8
PubChem CID23725076
IUPAC Namepentadecasodium;pentakis(hydroxy-(1-hydroxy-2-imidazol-1-yl-1-phosphonatoethyl)phosphinate);dihydrate
Molecular FormulaC25H39N10Na15O37P10
Molecular Weight1726.2
Topological Polar Surface Area810
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count42
Rotatable Bond Count15
Heavy Atom Count97
Formal Charge0
Complexity337
SMILES
C1=CN(C=N1)CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].C1=CN(C=N1)CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].C1=CN(C=N1)CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].C1=CN(C=N1)CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].C1=CN(C=N1)CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/5C5H10N2O7P2.15Na.2H2O/c5*8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;;;;;;;;;;;;;;;;;/h5*1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);;;;;;;;;;;;;;;;2*1H2/q;;;;;15*+1;;/p-15
InChIKey
HYMYRPXSMHJPGD-UHFFFAOYSA-A
Chemical Structure
2D Structure
2D structure of Zoledronate Trisodium
CAS: 165800-08-8
CID: 23725076
Formula: C25H39N10Na15O37P10
MW: 1726.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1726.2
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count42
Rotatable Bond Count15
Exact Mass1725.7319164
Monoisotopic Mass1725.7319164
Topological Polar Surface Area810 Ų
Heavy Atom Count97
Formal Charge0
Complexity337
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count22
Compound Is CanonicalizedYes

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