Sodium picosulphate anhydrousProduct ingredient for Picosulfuric acid
- Name
- Sodium picosulphate anhydrous
- Drug Entry
- Picosulfuric acid
Picosulfuric acid is found in laxative products. Sodium picosulfate is a used to treat constipation or induce colon cleansing to prepare the large bowels before colonoscopy or surgery. The combination product containing sodium picosulfate and magnesium citrate was introduced to the Canadian market in 2005 and has been used in European countries for many years.3
- Accession Number
- DBSALT001831
- Structure
Structure for Sodium picosulphate anhydrous (DBSALT001831)
- Synonyms
- Picosulfate sodium anhydrous
- UNII
- VW106606Y8
- CAS Number
- 10040-45-6
- Weight
- Average: 481.4
Monoisotopic: 480.98779729 - Chemical Formula
- C18H13NNa2O8S2
- InChI Key
- GOZDTZWAMGHLDY-UHFFFAOYSA-L
- InChI
- InChI=1S/C18H15NO8S2.2Na/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2
- IUPAC Name
- disodium 4-[(pyridin-2-yl)[4-(sulfonatooxy)phenyl]methyl]phenyl sulfate
- SMILES
- [Na+].[Na+].[O-]S(=O)(=O)OC1=CC=C(C=C1)C(C1=CC=C(OS([O-])(=O)=O)C=C1)C1=CC=CC=N1
- External Links
- KEGG Compound
- C13072
- ChemSpider
- 61910
- ChEBI
- 32147
- ChEMBL
- CHEMBL1697768
- Wikipedia
- Sodium_picosulfate
- Predicted Properties
Property Value Source Water Solubility 0.0155 mg/mL ALOGPS logP 1.36 ALOGPS logP -1.5 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) -2.5 Chemaxon pKa (Strongest Basic) 4.08 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 145.75 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 99.59 m3·mol-1 Chemaxon Polarizability 39.76 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon