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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1356
CHEMBL1356
Compound Name SODIUM BENZOATE
ChEMBL Synonyms E211 | SODIUM BENZOATE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C7H5NaO2

Additional synonyms for CHEMBL1356 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[O-]C(=O)c1ccccc1
Standard InChI InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1 ...
Download InChI
Standard InChI Key WXMKPNITSTVMEF-UHFFFAOYSA-M

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1356

Molecule Features

CHEMBL1356 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PSYCHOTIC DISORDERSD011618EFO:0005407PSYCHOSIS2ClinicalTrials
SCHIZOPHRENIAD012559EFO:0000692SCHIZOPHRENIA2ClinicalTrials

Clinical Data

ClinicalTrials.gov SODIUM BENZOATE
The Cochrane Collaboration SODIUM BENZOATE

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
- - - - - -


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 CHEMBL1356

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A16 - OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16A - OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16AX - Various alimentary tract and metabolism products
A16AX11 - sodium benzoate

ChemSpider ChemSpider:WXMKPNITSTVMEF-UHFFFAOYSA-M
DailyMed sodium benzoate
PubChem SID: 144210445
Wikipedia Sodium_benzoate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1356



ACToR 532-32-1
Brenda 15963
ChEBI 113455
eMolecules 478180
EPA CompTox Dashboard DTXSID1020140
FDA SRS OJ245FE5EU
Metabolights MTBLC113455
MolPort MolPort-002-317-245
Nikkaji J3.287E
PubChem 517055
PubChem: Thomson Pharma 15146753
SureChEMBL SCHEMBL823

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