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Tiludronic acid disodium

CAT: 0926-FT28278-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FT28278-01Size:25 mg
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CAS Number
149845-07-8
Synonyms
[[ (4-Chlorophenyl) thio]methylene]biphosphonic acid disodium salt; Disodium tiludronate; SR 41319B
MDL Number
MFCD04039691
Smiles
[Na].O=P (O) (O) C (SC1=CC=C (Cl) C=C1) P (=O) (O) O
Molecular Formula
C7H9ClO6P2S•Na2
Molecular Weight
364.59 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Tiludronate Disodium

Tiludronate Disodium is the disodium salt form of tiludronate, a first-generation, non-nitrogenous bisphosphonate analogue of endogenous pyrophosphate. Tiludronate adsorbs to hydroxyapatite cells, and although the exact mechanism through which this bisphosphonate exerts its effect has yet to be fully elucidated, tiludronate appears to inhibit protein-tyrosine-phosphatase (PTP) in osteoclasts, thereby disrupting the cytoskeletal ring structure and suppressing the bone resorbing activity of osteoclasts. In addition, tiludronate appears to inhibit the vacuolar-type proton ATPase (V-ATPase) in osteoclasts. Altogether, this may reduce the number of osteoclasts, inhibit abnormal bone resorption and reduce bone turnover.

CAS Number149845-07-8
PubChem CID60936
IUPAC Namedisodium;[(4-chlorophenyl)sulfanyl-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate
Molecular FormulaC7H7ClNa2O6P2S
Molecular Weight362.57
Topological Polar Surface Area146
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity320
SMILES
C1=CC(=CC=C1SC(P(=O)(O)[O-])P(=O)(O)[O-])Cl.[Na+].[Na+]
InChI
InChI=1S/C7H9ClO6P2S.2Na/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);;/q;2*+1/p-2
InChIKey
SKUHWSDHMJMHIW-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Tiludronate Disodium
CAS: 149845-07-8
CID: 60936
Formula: C7H7ClNa2O6P2S
MW: 362.57
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight362.57
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass361.8922494
Monoisotopic Mass361.8922494
Topological Polar Surface Area146 Ų
Heavy Atom Count19
Formal Charge0
Complexity320
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes