Bismuth subcitrate potassium monohydrateProduct ingredient for Bismuth subcitrate potassium
- Name
- Bismuth subcitrate potassium monohydrate
- Drug Entry
- Bismuth subcitrate potassium
A bismuth compound used for peptic ulcer and gastro-oesophageal reflux disease (GORD).
- Accession Number
- DBSALT001280
- Structure
Structure for Bismuth subcitrate potassium monohydrate (DBSALT001280)
- Synonyms
- Biskalcitrate potassium
- UNII
- R3O80H60KX
- CAS Number
- Not Available
- Weight
- Average: 834.699
Monoisotopic: 833.82203 - Chemical Formula
- C12H14BiK5O17
- InChI Key
- VBVVJMZCAZRTKA-UHFFFAOYSA-H
- InChI
- InChI=1S/2C6H7O7.Bi.5K.3H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;/h2*1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;3*1H2/q2*-1;+3;5*+1;;;/p-6
- IUPAC Name
- bismuth(3+) ion pentapotassium bis(2-oxidopropane-1,2,3-tricarboxylate) trihydrate
- SMILES
- O.O.O.[K+].[K+].[K+].[K+].[K+].[Bi+3].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O
- External Links
- ChemSpider
- 34993565
- Predicted Properties
Property Value Source Water Solubility 13.8 mg/mL ALOGPS logP 0.79 ALOGPS logP -1.3 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 3.05 Chemaxon pKa (Strongest Basic) -4.2 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 143.45 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 78.69 m3·mol-1 Chemaxon Polarizability 13.96 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon