Cas no 165800-08-8 (Phosphonic acid,[1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-, trisodium salt, hydrate (5:2)(9CI))

Phosphonic acid,[1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-, trisodium salt, hydrate (5:2)(9CI) structure
165800-08-8 structure
Product Name:Phosphonic acid,[1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-, trisodium salt, hydrate (5:2)(9CI)
CAS No:165800-08-8
MF:C25H39N10Na15O37P10
MW:1726.20613789558
CID:147584
PubChem ID:23725076
Update Time:2025-04-19

Phosphonic acid,[1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-, trisodium salt, hydrate (5:2)(9CI) Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid,[1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-, trisodium salt, hydrate (5:2)(9CI)
    • Trisodium [1-hydroxy-1-(hydroxyphosphinato)-2-(1H-imidazol-1-yl)e thyl]phosphonate
    • LogP
    • phosphoni<wbr>
    • trisodium<wbr>
    • Phosphonic acid, (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bis-, trisodium salt hydrate (5:2)
    • ZOLEDRONATE TRISODIUM [MART.]
    • Trisodium hydrogen (1-hydroxy-2-imidazol-1-ylethylidene)diphosphonate, hydrate (5:2)
    • UNII-ARL915IH66
    • CGP 42446B
    • Zoledronate trisodium
    • Zoledronate trisodium (USAN)
    • pentadecasodium;hydroxy-(1-hydroxy-2-imidazol-1-yl-1-phosphonatoethyl)phosphinate;dihydrate
    • CHEMBL3989655
    • ZOLEDRONIC ACID TRISODIUM SALT HYDRATE
    • D06379
    • Q27274082
    • 165800-08-8
    • ARL915IH66
    • CGP-42446B
    • Zoledronate trisodium [USAN]
    • ZOLEDRONIC ACID TRISODIUM SALT HYDRATE [MI]
    • Zoledronate trisodium hydrate
    • 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
    • InChI Key： HYMYRPXSMHJPGD-UHFFFAOYSA-A
    • SMILES： P(C(CN1C=NC=C1)(O)P(=O)([O-])[O-])(=O)([O-])O.P(C(CN1C=NC=C1)(O)P(=O)([O-])[O-])(=O)([O-])O.P(C(CN1C=NC=C1)(O)P(=O)([O-])[O-])(=O)([O-])O.P(C(CN1C=NC=C1)(O)P(=O)([O-])[O-])(=O)([O-])O.P(C(CN1C=NC=C1)(O)P(=O)([O-])[O-])(=O)([O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O

Computed Properties

  • Exact Mass: 337.94231
  • Monoisotopic Mass: 1725.7319164g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 42
  • Heavy Atom Count: 97
  • Rotatable Bond Count: 15
  • Complexity: 337
  • Covalently-Bonded Unit Count: 22
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 810?2

Experimental Properties

  • PSA: 161.6

Phosphonic acid,[1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-, trisodium salt, hydrate (5:2)(9CI) Related Literature

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