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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1354
CHEMBL1354
Compound Name SODIUM ACETATE
ChEMBL Synonyms SODIUM ACETATE C 11 | Sodium acetate, anhydrous | E262 | SODIUM ACETATE ANHYDROUS | SODIUM ACETATE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C2H3NaO2

Additional synonyms for CHEMBL1354 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

  • 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


CHEMBL1354

Molecule Features

CHEMBL1354 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov SODIUM ACETATE
The Cochrane Collaboration SODIUM ACETATE

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
82 82.0031 - - - -


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 CHEMBL1354

Compound Cross References

ATC B - BLOOD AND BLOOD FORMING ORGANS
B05 - BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
B05X - I.V. SOLUTION ADDITIVES
B05XA - Electrolyte solutions
B05XA08 - sodium acetate

ChemSpider ChemSpider:VMHLLURERBWHNL-UHFFFAOYSA-M
DailyMed sodium acetate sodium acetate anhydrous
PubChem SID: 144209939
Wikipedia Sodium_acetate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1354



ACToR 126-96-5 127-09-3
Brenda 44566 13054 33208 94454
ChEBI 32954
ChemicalBook CB1230044
DrugBank DB09395
eMolecules 476979 31507407
EPA CompTox Dashboard DTXSID2027044
FDA SRS NVG71ZZ7P0
MolPort MolPort-001-783-713
Nikkaji J2.938F
PubChem 517045
PubChem: Thomson Pharma 14793642
SureChEMBL SCHEMBL2289

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