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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2016976
CHEMBL2016976
Compound Name SODIUM METABISULFITE
ChEMBL Synonyms SODIUM METABISULFITE
Max Phase 0
Trade Names
Molecular Formula Na2O5S2

Additional synonyms for CHEMBL2016976 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].[O-]S(=O)S(=O)(=O)[O-]
Standard InChI InChI=1S/2Na.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2* ...
Download InChI
Standard InChI Key HRZFUMHJMZEROT-UHFFFAOYSA-L

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2016976

Molecule Features

CHEMBL2016976 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
146.1 145.9344 -0.63 1 119.26 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-2.12 - -2.13 -6.63 0 7 0.29

Structural Alerts

There are 11 structural alerts for CHEMBL2016976. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HRZFUMHJMZEROT-UHFFFAOYSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2016976



ACToR 7681-57-4 15771-29-6
Brenda 2985
ChEBI 114786
eMolecules 480883 36027120
EPA CompTox Dashboard DTXSID0029684
FDA SRS 4VON5FNS3C
MolPort MolPort-003-926-316
Nikkaji J44.049C
PubChem 51000477 656671
PubChem: Thomson Pharma 15042290
SureChEMBL SCHEMBL8342

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