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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL500826
CHEMBL500826
Compound Name SODIUM PROPIONATE
ChEMBL Synonyms Sodium Propionate | E281 | SODIUM PROPIONATE
Max Phase 2
Trade Names
Molecular Formula C3H5NaO2

Additional synonyms for CHEMBL500826 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].CCC(=O)[O-]
Standard InChI InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
Standard InChI Key JXKPEJDQGNYQSM-UHFFFAOYSA-M

Sources

  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL500826

Molecule Features

CHEMBL500826 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov SODIUM PROPIONATE
The Cochrane Collaboration SODIUM PROPIONATE

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
96.1 96.0187 - - - -


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 CHEMBL500826

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01A - ANTIINFECTIVES
S01AX - Other antiinfectives
S01AX10 - sodium propionate

ChemSpider ChemSpider:JXKPEJDQGNYQSM-UHFFFAOYSA-M
PubChem SID: 144206595 SID: 144209933
Wikipedia Sodium_propionate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL500826



ACToR 137-40-6
Brenda 21415
ChEBI 132106
ChemicalBook CB9290129
eMolecules 486064
EPA CompTox Dashboard DTXSID7021996
FDA SRS 391O0PO49R
MolPort MolPort-003-927-296
Nikkaji J4.430J
PubChem 2723816
PubChem: Thomson Pharma 14747392
SureChEMBL SCHEMBL48908

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