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 4.

Accession Number
DBSALT001831
Structure
Thumb
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
KEGG Compound
C13072
ChemSpider
61910
ChEBI
32147
ChEMBL
CHEMBL1697768
Wikipedia
Sodium_picosulfate
Predicted Properties
PropertyValueSource
Water Solubility0.0155 mg/mLALOGPS
logP1.36ALOGPS
logP-1.5ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)-2.5ChemAxon
pKa (Strongest Basic)4.08ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area145.75 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity99.59 m3·mol-1ChemAxon
Polarizability39.76 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon