Sodium picosulphate
CAS Number: 10040-45-6
Molecular Mass: 481.4 g/mol
Formula: C18H13NNa2O8S2
Smiles: O=S(=O)([O-])Oc1ccc(C(c2ccc(OS(=O)(=O)[O-])cc2)c2ccccn2)cc1.[Na+].[Na+]
Synonymes:
Sodium picosulphate, sodium picosulfate, 10040-45-6, Picosulfate sodium, Laxoberon, Neopax, Laxoberal, Guttalax-Fher, Pico-Salax, Picosulfate de sodium, Natrii picosulfas, Picosulfato sodico, Sodium picosulphate anhydrous, DA-1773, Picosulfate sodium anhydrous, Sodium picosulfate anhydrous, LA 391, picosulfato de sodio, DA 1773, DTXSID7048663, Picosulfate sodium hydrate, VW106606Y8, 4,4'-(2-Pyridylmethylene)diphenol bis(hydrogen sulfate) disodium salt, Sodium picosulphate monohydrate, DTXCID0028589, Sodium picosulfate hydrate, CHEBI:32147, LA-391, Phenol, 4,4'-(2-pyridylmethylene)bis-, bis(hydrogen sulfate), disodium salt, CLENPIQ COMPONENT SODIUM PICOSULFATE, PREPOPIK COMPONENT SODIUM PICOSULFATE, Citrafleet, Dulcolax pico, Otc concepts, Pico-Salax regimen, RefChem:184080, A06AB08, Disodium 4,4'-(pyridin-2-ylmethylene)bis(phenyl sulfate) monohydrate, 233-120-9, 1307301-38-7, LR57574HN8, MFCD00867640, 4,4'-(2-Picolylidene)bis(phenylsulfuric acid) disodium salt, sodium (pyridin-2-ylmethylene)bis(4,1-phenylene) bis(sulfate), Anhydrous Sodium Picosulfate, phenol, 4,4'-(2-pyridinylmethylene)bis-, 1,1'-bis(hydrogen sulfate), sodium salt (1:2), Picosulfol, Evacuol, Guttalax, Picolax, Rapilax, Laxidogol, Evanol, disodium, [4-[pyridin-2-yl-(4-sulfonatooxyphenyl)methyl]phenyl] sulfate, C18H13NNa2O8S2, Picoprep, Disodium 4,4'-(2-pyridylmethylene)-di(phenyl sulphate), Disodium 4,4'-(2-pyridylmethylene)-di(phenyl sulphate), Sodium picosulfate, Natrii picosulfas [INN-Latin], Picosulfato sodico [INN-Spanish], NCGC00182711-01, Picosulfate de sodium [INN-French], Sodium Picosulfate [INN:BAN:JAN], EINECS 233-120-9, 2-Picolylidenebis(p-phenyl sodium sulfate), sodiumpicosulfate, Natriumpicosulfat, UNII-VW106606Y8, Guttalax, Laxoberon, Disodium 4,4'-disulfoxydiphenyl-(2-pyridyl)methane, Sodium picosulfate CRS, 4,4'-(2-Pyridylmethylene)diphenolbis(hydrogen sulfate) (ester) disodium salt, 4,4'-(2-Pyridinylmethylene)bisphenol bis(hydrogen sulfate) (ester) disodium salt, MSK11192Na, SCHEMBL346436, orb1300566, orb3025096, PICOSULFATE SODIUM [MI], CHEMBL1697768, SODIUM PICOSULFATE [INN], HMS3652K17, HMS5082H17, Tox21_113026, s4020, 4,4'-(2-Pyridinylmethylene)bisphenol 1,1'-Bis(hydrogen sulfate) Sodium Salt, AKOS030632777, Picosulfate for system suitability CRS, CCG-269559, EBC-145099, AC-31735, AS-15785, DA-57980, SY288435, CAS-10040-45-6, NS00078064, S0936, SW219183-1, T6675, C71029, SBI-0654160.0001, F799737, Q410265, Sodium picosulfate 100 microg/mL in Acetonitrile, Disodium [(pyridin-2-yl)methylene]di(4,1-phenylene) disulfate, disodium, [4-[2-pyridyl-(4-sulfonatooxyphenyl)methyl]phenyl] sulfate, Sodium 4,4'-(pyridin-2-ylmethylene)bis(4,1-phenylene) disulfate, 4,4'-(2-PYRIDYLMETHYLENE)DIPHENOL BIS(HYDROGEN SULPHATE) DISODIUM SALT
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 298.15 | - | 0.52 | [305] |
| 1-Butanol | 303.15 | - | 1.0 | [305] |
| 1-Butanol | 308.15 | - | 2.6 | [305] |
| 1-Butanol | 313.15 | - | 5.68 | [305] |
| 1-Butanol | 318.15 | - | 11.3 | [305] |
| 1-Propanol | 298.15 | - | 1.3 | [305] |
| 1-Propanol | 303.15 | - | 2.6 | [305] |
| 1-Propanol | 308.15 | - | 4.4 | [305] |
| 1-Propanol | 313.15 | - | 8.84 | [305] |
| 1-Propanol | 318.15 | - | 17.6 | [305] |
| Acetic acid | 298.15 | - | 11.7 | [305] |
| Acetic acid | 303.15 | - | 15.8 | [305] |
| Acetic acid | 308.15 | - | 20.8 | [305] |
| Acetic acid | 313.15 | - | 28.1 | [305] |
| Acetic acid | 318.15 | - | 37.8 | [305] |
| Acetonitrile | 298.15 | - | 0.91 | [305] |
| Acetonitrile | 303.15 | - | 0.9 | [305] |
| Acetonitrile | 308.15 | - | 2.7 | [305] |
| Acetonitrile | 313.15 | - | 4.5 | [305] |
| Acetonitrile | 318.15 | - | 8.9 | [305] |
| Dimethyl sulfoxide | 298.15 | - | 33.2 | [305] |
| Dimethyl sulfoxide | 303.15 | - | 39.2 | [305] |
| Dimethyl sulfoxide | 308.15 | - | 46.5 | [305] |
| Dimethyl sulfoxide | 313.15 | - | 55.7 | [305] |
| Dimethyl sulfoxide | 318.15 | - | 66.3 | [305] |
| Dimethylformamide | 298.15 | - | 172.0 | [305] |
| Dimethylformamide | 303.15 | - | 205.1 | [305] |
| Dimethylformamide | 308.15 | - | 247.7 | [305] |
| Dimethylformamide | 313.15 | - | 297.2 | [305] |
| Dimethylformamide | 318.15 | - | 361.9 | [305] |
| Ethanol | 298.15 | - | 9.04 | [305] |
| Ethanol | 303.15 | - | 12.3 | [305] |
| Ethanol | 308.15 | - | 17.1 | [305] |
| Ethanol | 313.15 | - | 24.0 | [305] |
| Ethanol | 318.15 | - | 33.0 | [305] |
| Methanol | 298.15 | - | 115.0 | [305] |
| Methanol | 303.15 | - | 137.8 | [305] |
| Methanol | 308.15 | - | 168.1 | [305] |
| Methanol | 313.15 | - | 210.2 | [305] |
| Methanol | 318.15 | - | 250.9 | [305] |
| Water | 298.15 | - | 585.4 | [305] |
| Water | 303.15 | - | 687.8 | [305] |
| Water | 308.15 | - | 818.7 | [305] |
| Water | 313.15 | - | 953.1 | [305] |
| Water | 318.15 | - | 1097.0 | [305] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 2199.3288 |
| PMI2 | 8818.4342 |
| PMI3 | 10348.4406 |
| NPR1 | 0.2125 |
| NPR2 | 0.8522 |
| RadiusOfGyration | 4.7107 |
| InertialShapeFactor | 0.0004 |
| Eccentricity | 0.9772 |
| Asphericity | 0.4931 |
| SpherocityIndex | 0.2254 |
| PBF | 0.9494 |