chempirical

Sodium picosulfate

C18H13NNa2O8S2CAS 10040-45-6481.40 g/mol

Open in Covalent MOL file
O−SOOOOSO−OONNa+Na+

Properties

Molecular formula
C18H13NNa2O8S2
Molar mass
481.40 g/mol
Exact mass
480.9878 Da
Melting point
273 °C (decomposes)
logP
1.86Crippen estimate
Polar surface area
140.1 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
7

Identifiers

CAS number
10040-45-6
SMILES
[O-]S(=O)(=O)Oc1ccc(C(c2ccc(OS([O-])(=O)=O)cc2)c2ccccn2)cc1.[Na+].[Na+]
InChIKey
GNCMLBKBMBXVMB-UHFFFAOYSA-N
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);;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

19 names · show all
  • Phenol, 4,4′-(2-pyridinylmethylene)bis-, 1,1′-bis(hydrogen sulfate), sodium salt (1:2)
  • Phenol, 4,4′-(2-pyridylmethylene)di-, bis(hydrogen sulfate) (ester) disodium salt
  • Phenol, 4,4′-(2-pyridinylmethylene)bis-, bis(hydrogen sulfate) (ester), disodium salt
  • 4,4′-(2-Pyridylmethylene)diphenol bis(hydrogen sulfate) disodium salt
  • Picosulfol
  • Disodium bis[4-[(hydroxysulfonyl)oxy]phenyl](2-pyridyl)methane
  • Picosulfate sodium
  • Evacuol
  • Guttalax
  • Laxoberal
  • Rapilax
  • DA 1773
  • Laxoberon
  • Picolax
  • LA 391
  • Pico-salax
  • Guttalax-fher
  • Neopax
  • PicoPrep

Work with Sodium picosulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bisacodyl603-50-952 % similar Potassium P-nitrophenyl sulfate6217-68-135 % similar Sodium persulfate7775-27-133 % similar Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3)62625-16-532 % similar α-(4-Chlorophenyl)-2-pyridinemethanol27652-89-731 % similar α-Phenyl-2-pyridineacetonitrile5005-36-731 % similar Conjugated estrogens12126-59-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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