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CAS No 89987-06-4 , [(4-chlorophenyl)sulfanyl-phosphonomethyl]phosphonic acid

  • Name: [(4-chlorophenyl)sulfanyl-phosphonomethyl]phosphonic acid
  • Synonyms: Acido tiludronico [INN-Spanish];Tiludronate; Acidum tiludronicum [INN-Latin]; Acide tiludronique [INN-French]; Acidum tiludronicum;[(4-chlorophenyl)sulfanyl-phosphonomethyl]phosphonic acid;
  • CAS Registry Number:
  • Flash Point: 317.1°C
  • Boiling Point: 600.7°C at 760 mmHg
  • Density: 1.82g/cm3
  • Refractive index: 1.652
  • Flash Point: 317.1°C
  • Molecular Weight: 318.608284
  • InchiKey: DKJJVAGXPKPDRL-UHFFFAOYSA-N
  • InChI: InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,
    7H,(H2,9,10,11)(H2,12,13,14)
  • Molecular Formula: C7H9ClO6P2S
  • Molecular Structure:CAS No:89987-06-4 [(4-chlorophenyl)sulfanyl-phosphonomethyl]phosphonic acid

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89987-06-4 TILUDRONIC ACID

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References of [(4-chlorophenyl)sulfanyl-phosphonomethyl]phosphonic acid
Title: Tiludronic Acid
CAS Registry Number: 89987-06-4
CAS Name: [[(4-Chlorophenyl)thio]methylene]bisphosphonic acid
Synonyms: ACPMD; Cl-TMBP
Manufacturers' Codes: ME-3737
Molecular Formula: C7H9ClO6P2S
Molecular Weight: 318.61
Percent Composition: C 26.39%, H 2.85%, Cl 11.13%, O 30.13%, P 19.44%, S 10.06%
Literature References: Bisphosphonate antiresorptive agent. Prepn: J. C. Breliere et al., EP 100718; eidem, US 4876248 (1984, 1989 both to Sanofi). HPLC determn in plasma and urine: J.-P. Fels et al., J. Chromatogr. 430, 73 (1988). Determn of dissociation constants: M. Bonnery et al., Bull. Soc. Chim. Fr. 1988, 49. Symposium on pharmacology and clinical experience: Bone 17, Suppl., 471S-519S (1995). Clinical trial in Paget's disease: W. D. Fraser et al., Postgrad. Med. J. 73, 496 (1997).
Properties: pK1 10.85; pK2 6.90; pK3 2.95; pK4 1.30.
pKa: pK1 10.85; pK2 6.90; pK3 2.95; pK4 1.30
 
Derivative Type: Disodium salt
CAS Registry Number: 149845-07-8; 155453-10-4 (hemihydrate)
Synonyms: Tiludronate disodium
Manufacturers' Codes: SR-41319B
Trademarks: Skelid (Sanofi)
Molecular Formula: C7H7ClNa2O6P2S
Molecular Weight: 362.57
Percent Composition: C 23.19%, H 1.95%, Cl 9.78%, Na 12.68%, O 26.48%, P 17.09%, S 8.84%
Properties: Occurs as the hemihydrate.
 
Derivative Type: Di-tert-butylamine salt
Properties: mp 253° (dec).
Melting point: mp 253° (dec)
 
Therap-Cat: Bone resorption inhibitor.
Keywords: Antipagetic; Bone Resorption Inhibitor.