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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106901
CHEMBL2106901
Compound Name POTASSIUM METABISULFITE
ChEMBL Synonyms POTASSIUM METABISULFITE
Max Phase 0
Trade Names
Molecular Formula K2O5S2

Additional synonyms for CHEMBL2106901 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106901

Molecule Features

CHEMBL2106901 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:Unknown

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
146.1 145.9344 -0.99 1 91.67 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 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 0.28

Structural Alerts

There are 11 structural alerts for CHEMBL2106901. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RWPGFSMJFRPDDP-UHFFFAOYSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106901



ACToR 4429-42-9 16731-55-8
Brenda 109459
ChemicalBook CB5179482
eMolecules 718421
EPA CompTox Dashboard DTXSID1021293
FDA SRS 65OE787Q7W
Nikkaji J43.952E
PubChem 28019
PubChem: Thomson Pharma 14773614
SureChEMBL SCHEMBL29531

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