TILUDRONATE DISODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII BH6M93CIA0
EPA CompTox DTXSID1048621

Structure

InChI Key SKUHWSDHMJMHIW-UHFFFAOYSA-L
Smiles O=P([O-])(O)C(Sc1ccc(Cl)cc1)P(=O)([O-])O.[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

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7ClNa2O6P2S
Molecular Weight 362.58
AlogP 2.07
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 115.06
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
ATP inhibitor INHIBITOR PubMed PubMed FDA

Cross References

Resources Reference
ChEMBL CHEMBL1200448
FDA SRS BH6M93CIA0
PubChem 60936
SureChEMBL SCHEMBL41053
CONTENTS