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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 SODIUM BENZOATE | E211 | AMZOATE | MTHWSH
Max Phase 4 (Approved)
Trade Names AMZOATE | MTHWSH
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
  • 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


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
Hepatic EncephalopathyD0065012ClinicalTrials
Psychotic DisordersD011618EFO:0005407psychosis2ClinicalTrials

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
144.1 144.0187 - - - -


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 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
ChemicalBook CB0698779
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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