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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1906423
CHEMBL1906423
Compound Name SODIUM STEARATE
ChEMBL Synonyms SODIUM STEARATE
Max Phase 0
Trade Names
Molecular Formula C18H35NaO2

Additional synonyms for CHEMBL1906423 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].CCCCCCCCCCCCCCCCCC(=O)[O-]
Standard InChI InChI=1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16 ...
Download InChI
Standard InChI Key RYYKJJJTJZKILX-UHFFFAOYSA-M

Sources

  • Patent Bioactivity Data
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1906423

Molecule Features

CHEMBL1906423 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

Clinical Data

ClinicalTrials.gov SODIUM STEARATE
The Cochrane Collaboration SODIUM STEARATE

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
306.5 306.2535 - - - -


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 CHEMBL1906423

Compound Cross References

ChemSpider ChemSpider:RYYKJJJTJZKILX-UHFFFAOYSA-M
PubChem SID: 26757672

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1906423



ACToR 822-16-2
Brenda 44825
ChEBI 132109
ChemicalBook CB5316865
eMolecules 493130
EPA CompTox Dashboard DTXSID9027318
FDA SRS QU7E2XA9TG
Mcule MCULE-2987899692
MolPort MolPort-003-918-635
Nikkaji J7.124B
PubChem 2724691
PubChem: Thomson Pharma 14918770
SureChEMBL SCHEMBL5773

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