Product Name

  • Name

    Tiludronate disodium hemihydrate

  • EINECS
  • CAS No. 155453-10-4
  • Density
  • Solubility
  • Melting Point
  • Formula C14H16Cl2Na4O13P4S2
  • Boiling Point
  • Molecular Weight 743.15
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 155453-10-4 (Tiludronate disodium hemihydrate)
  • Hazard Symbols
  • Synonyms Tiludronatedisodium hemihydrate;Disodium (4-chlorophenylthio)methylenediphosphonate hemihydrate;
  • PSA 340.51000
  • LogP 5.83070

Tiludronate disodium hemihydrate Specification

The systematic name of Tiludronate disodium hemihydrate is Phosphonic acid, [[(4-chlorophenyl)thio]methylene]bis-, sodium salt, hydrate (2:4:1). With the CAS registry number 155453-10-4, it is also named as Disodium (4-chlorophenylthio)methylenediphosphonate hemihydrate. In addition, its molecular formula is C14H16Cl2Na4O13P4S2 and its molecular weight is 743.15. 

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc(ccc1SC(P(=O)(O)[O-])P(=O)(O)[O-])Cl.c1cc(ccc1SC(P(=O)(O)[O-])P(=O)(O)[O-])Cl.O.[Na+].[Na+].[Na+].[Na+]
(2)InChI:InChI=1/2C7H9ClO6P2S.4Na.H2O/c2*8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;;;;/h2*1-4,7H,(H2,9,10,11)(H2,12,13,14);;;;;1H2/q;;4*+1;/p-4
(3)InChIKey:KDVKAYPVWJFARG-XBHQNQODAD
(4)Std. InChI:InChI=1S/2C7H9ClO6P2S.4Na.H2O/c2*8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;;;;/h2*1-4,7H,(H2,9,10,11)(H2,12,13,14);;;;;1H2/q;;4*+1;/p-4
(5)Std. InChIKey:KDVKAYPVWJFARG-UHFFFAOYSA-J

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