Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00676)
Name
Tiludronic acid
Synonyms    Click to Show/Hide the Synonyms of This API
Tiludronic Acid; Tiludronate; 89987-06-4; Skelid; Acide tiludronique [INN-French]; Acido tiludronico [INN-Spanish]; Acidum tiludronicum [INN-Latin]; UNII-6PNS59HP4Y; SR-41319; 6PNS59HP4Y; SR 41319; [(4-chlorophenyl)sulfanyl-phosphonomethyl]phosphonic acid; CHEBI:9598; Acidum tiludronicum; Acido tiludronico; Acide tiludronique; Tiludronic acid [INN:BAN]; CIPsMBP; Tiludronic acid (INN); Tiludronic acid disodium; (4-Chlorophenylthio)methylenediphosphonic acid; C08141; CHEMBL1350; SCHEMBL18988; (((p-Chlorophenyl)thio)methylene)diphosphonic acid; BIDD:GT0814; GTPL7604; Tiludronate disodium salt hydrate; DTXSID10237966; ZINC1531010; BDBM50442524; MFCD16872037; DB01133; FT-0630969; D08599; 987T064; Q2823312; BRD-K10845183-382-01-2; {[(4-chlorophenyl)sulfanyl](phosphono)methyl}phosphonic acid; [[(4-Chlorophenyl)thio]methylene]bisphosphonic acid disodium salt hydrate
Clinical Status
Approved
Disease Indication Osteoporosis ICD-11: FB83 [1]
PubChem CID
60937
Formula
C7H9ClO6P2S
Canonical SMILES
C1=CC(=CC=C1SC(P(=O)(O)O)P(=O)(O)O)Cl
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
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=60937"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 318.61 Topological Polar Surface Area 140
XlogP -0.3 Complexity 324
Heavy Atom Count 17 Rotatable Bond Count 4
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
Full List of Drug Formulations (DFMs) Containing This API
          Tiludronic acid 200 mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Lactose monohydrate; Sodium lauryl sulfate; Magnesium stearate; Crospovidone
                   Dosage Form Oral Tablet
                   Company Sanofi-Aventis
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium lauryl sulfate DIG Info Solute carrier SLCO2B1 (Ki = 1.98 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
Crospovidone DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
References
1 FDA label for approved tiludronic acid from the official website of the U.S. Food and Drug Administration.
2 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
3 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.