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Tiludronate

CAT: 0931-T73056-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T73056-01Size:25 mg
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CAS Number
89987-06-4
Target
Proton pump, Others
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
Tiludronate (Tiludronic Acid), an orally active bisphosphonate with osteoregulatory activity, is used to study metabolic bone disorders. It acts as a potent inhibitor of osteoclast vacuolar H (+) -ATPase and exhibits antiresorptive and anti-inflammatory properties.
Smiles
C(SC1=CC=C(Cl)C=C1)(P(=O)(O)O)P(=O)(O)O
Molecular Formula
C7H9ClO6P2S
Molecular Weight
318.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
MBS5815275Tiludronate
318873Tiludronate disodium
HY-A0213A-01Tiludronate (disodium)
HY-A0213BTiludronate (disodium hemihydrate)
HY-A0213ASTiludronate-d5 (sodium)
MBS5799587Tiludronate disodiuM/hemihydrate
GTR19189584-01Tiludronate disodium hemihydrate

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