Zoledronic Acid Disodium Salt Tetrahydrate - ≥98% , CAS No.165800-07-7

CAS: 165800-07-7 Cat. No.: Z275198 Molecular Weight: 388.11 PubChem CID: 21123000

GRADE & PURITY ≥98%

Synonyms

Zoledronate Disodium | CGP-42446A | Zoledronate disodium salt

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Zoledronate Disodium | CGP-42446A | Zoledronate disodium salt

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Bisphosphonate bone resorption inhibitor. Zoledronic acid derivative. Inhibits FFP synthase. Inhibits osteoclast activity. Potent angiogenesis inhibitor. Shows antitumor effects in vivo.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)([O-])[O-].O.O.O.O.[Na+].[Na+]
• IUPAC Name: disodium;(1-hydroxy-2-imidazol-1-yl-1-phosphonatoethyl)phosphonic acid;tetrahydrate
• InChIKey: IEJZOPBVBXAOBH-UHFFFAOYSA-L
• INCHI: 1S/C5H10N2O7P2.2Na.4H2O/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;;;;;;/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);;;4*1H2/q;2*+1;;;;/p-2
• Isomeric SMILES: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)([O-])[O-].O.O.O.O.[Na+].[Na+]
• PubChem CID: 21123000
• Molecular Weight: 388.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphonic acids and derivatives
      • Subclass Bisphosphonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphonic acids and derivatives
• Subclass: Bisphosphonates
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphosphonates
• Alternative Parents: N-substituted imidazoles Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bisphosphonate - N-substituted imidazole - Azole - Imidazole - Organophosphonic acid - Heteroaromatic compound - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic sodium salt - Organic salt - Organic zwitterion - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility:Methanol (Slightly, Heated, Sonicated), Water (Slightly, Heated)
• Melt Point(°C): >265°C (dec.)
• Molecular Weight: 388.110 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 388.002 Da
• Monoisotopic Mass: 388.002 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 339.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 7

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