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Tiludronate

CAT: 0013-GTR19212427-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212427-02Size:50 mg
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Description
Tiludronic acid is a bisphosphonate compound that potently inhibits osteoclast vacuolar H+-ATPase, providing antiresorptive and anti-inflammatory effects. It is used in research models of metabolic bone diseases such as osteoporosis and Paget's disease, both in vitro and in vivo, to study bone resorption mechanisms.
CAS Number
89987-06-4
Field of Research
Pharmacology & Drug Discovery
Smiles
C (SC1=CC=C (Cl) C=C1) (P (=O) (O) O) P (=O) (O) O
Molecular Formula
C7H9ClO6P2S
Molecular Weight
318.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tiludronic Acid

Tiludronic acid is an organochlorine compound.

CAS Number89987-06-4
PubChem CID60937
IUPAC Name[(4-chlorophenyl)sulfanyl-phosphonomethyl]phosphonic acid
Molecular FormulaC7H9ClO6P2S
Molecular Weight318.61
XLogP-0.3
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity324
SMILES
C1=CC(=CC=C1SC(P(=O)(O)O)P(=O)(O)O)Cl
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)
InChIKey
DKJJVAGXPKPDRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tiludronic Acid
CAS: 89987-06-4
CID: 60937
Formula: C7H9ClO6P2S
MW: 318.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.61
XLogP3-0.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass317.9283609
Monoisotopic Mass317.9283609
Topological Polar Surface Area140 Ų
Heavy Atom Count17
Formal Charge0
Complexity324
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T73056-01Tiludronate
T13159-01Tiludronate disodium
HY-A0213A-01Tiludronate (disodium)
HY-A0213BTiludronate (disodium hemihydrate)
HY-A0213ASTiludronate-d5 (sodium)
T39037Tiludronate disodium hemihydrate
MBS5799587Tiludronate disodiuM/hemihydrate

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