Sodium picosulfate monohydrateProduct ingredient for Picosulfuric acid

Name
Sodium picosulfate monohydrate
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
DBSALT001830
Structure
Synonyms
4,4'-(2-pyridylmethylene)diphenol bis(hydrogen sulfate) disodium salt monohydrate / Picosulfate sodium hydrate / Sodium picosulfate / Sodium picosulfate hydrate / Sodium picosulphate monohydrate
UNII
LR57574HN8
CAS Number
1307301-38-7
Weight
Average: 499.42
Monoisotopic: 498.99836198
Chemical Formula
C18H15NNa2O9S2
InChI Key
FHYUVJHZGPGDSP-UHFFFAOYSA-L
InChI
InChI=1S/C18H15NO8S2.2Na.H2O/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);;;1H2/q;2*+1;/p-2
IUPAC Name
disodium hydrate 4-[(pyridin-2-yl)[4-(sulfooxy)phenyl]methyl]phenyl sulfate
SMILES
O.[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
ChemSpider
4445585
Predicted Properties
PropertyValueSource
Water Solubility0.0155 mg/mLALOGPS
logP1.42ALOGPS
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