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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2107054
CHEMBL2107054
Compound Name SODIUM ACETATE C 11
ChEMBL Synonyms SODIUM ACETATE C 11
Max Phase 0
Trade Names
Molecular Formula C2H3NaO2

Additional synonyms for CHEMBL2107054 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].C[11C](=O)[O-]
Standard InChI InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1/i2-1;
Standard InChI Key VMHLLURERBWHNL-WOPVPFJQSA-M

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2107054

Molecule Features

CHEMBL2107054 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
- - - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


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

Structural Alerts

There are no structural alerts for CHEMBL2107054

Compound Cross References

ChemSpider ChemSpider:VMHLLURERBWHNL-WOPVPFJQSA-M

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2107054



EPA CompTox Dashboard DTXSID40198975
FDA SRS Y1WPQ66L9G
PubChem 23717929
PubChem: Thomson Pharma 96050060

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