ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106092
CHEMBL2106092
Compound Name CALCIUM STEARATE
ChEMBL Synonyms CALCIUM STEARATE
Max Phase 0
Trade Names
Molecular Formula C36H70CaO4

Additional synonyms for CHEMBL2106092 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
Standard InChI InChI=1S/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15 ...
Download InChI
Standard InChI Key CJZGTCYPCWQAJB-UHFFFAOYSA-L

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106092

Molecule Features

CHEMBL2106092 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 CALCIUM STEARATE
The Cochrane Collaboration CALCIUM STEARATE

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 CHEMBL2106092

Compound Cross References

ChemSpider ChemSpider:CJZGTCYPCWQAJB-UHFFFAOYSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106092



ACToR 66071-81-6 105478-11-3
eMolecules 882711
EPA CompTox Dashboard DTXSID7027419
FDA SRS 776XM7047L
MolPort MolPort-003-919-765
Nikkaji J7.521C
PubChem 15324 516978
PubChem: Thomson Pharma 15433939
SureChEMBL SCHEMBL2371

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