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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1689285
CHEMBL1689285
Compound Name SODIUM BISULFITE
ChEMBL Synonyms Sodium Bisulfite | E222
Max Phase 0
Trade Names
Molecular Formula HNaO3S

Additional synonyms for CHEMBL1689285 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].OS(=O)[O-]
Standard InChI InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1
Standard InChI Key DWAQJAXMDSEUJJ-UHFFFAOYSA-M

Molecule Features

CHEMBL1689285 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Structural Alerts

There are 3 structural alerts for CHEMBL1689285. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1689285

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
82.1 81.9725 -0.21 0 76.73 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.53 - -1.58 -6.08 0 4 0.4

Compound Cross References

ChemSpider ChemSpider:DWAQJAXMDSEUJJ-UHFFFAOYSA-M
Wikipedia Sodium_bisulfite

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1689285



ACToR 7631-90-5
ChEBI 26709
eMolecules 713250
FDA SRS TZX5469Z6I
MolPort MolPort-006-107-705
Nikkaji J134.329G
PharmGKB PA451377
PubChem 23665763 18000336
PubChem: Thomson Pharma 15297014
SureChEMBL SCHEMBL889

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