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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2096650
CHEMBL2096650
Compound Name SODIUM THIOSULFATE
ChEMBL Synonyms Ametox | Sulfothiorine | E539 | SODIUM THIOSULFATE | Sodothiol
Max Phase 4 (Approved)
Trade Names Ametox | SODIUM THIOSULFATE | Sodothiol | Sulfothiorine
Molecular Formula H10Na2O8S2

Additional synonyms for CHEMBL2096650 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O.O.O.O.O.[Na+].[Na+].[O-]S(=O)(=S)[O-]
Standard InChI InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5 ...
Download InChI
Standard InChI Key PODWXQQNRWNDGD-UHFFFAOYSA-L

Sources

  • British National Formulary
  • Orange Book
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2096650

Molecule Features

CHEMBL2096650 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov SODIUM THIOSULFATE
The Cochrane Collaboration SODIUM THIOSULFATE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
114.1 113.9445 0.29 0 98 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.48 - 0 5 0.47

Structural Alerts

There are 3 structural alerts for CHEMBL2096650. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PODWXQQNRWNDGD-UHFFFAOYSA-L
DailyMed sodium thiosulfate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2096650



ACToR 10102-17-7
ChEBI 32150
eMolecules 711487 882240
EPA CompTox Dashboard DTXSID6044197
FDA SRS HX1032V43M
MolPort MolPort-019-903-431
PubChem 129667648 61475
PubChem: Thomson Pharma 16798879
SureChEMBL SCHEMBL51816

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/PODWXQQNRWNDGD-UHFFFAOYSA-L spacer
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