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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104130
CHEMBL2104130
Compound Name CALCIUM UNDECYLENATE
ChEMBL Synonyms CALCIUM UNDECYLENATE
Max Phase 0
Trade Names
Molecular Formula C22H38CaO4

Additional synonyms for CHEMBL2104130 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C
Standard InChI InChI=1S/2C11H20O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2 ...
Download InChI
Standard InChI Key CLOKKBBIKHZGNX-UHFFFAOYSA-L

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2104130

Molecule Features

CHEMBL2104130 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 UNDECYLENATE
The Cochrane Collaboration CALCIUM UNDECYLENATE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
406.6 406.2396 - - - -


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 CHEMBL2104130

Compound Cross References

ChemSpider ChemSpider:CLOKKBBIKHZGNX-UHFFFAOYSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104130



ACToR 1322-14-1
FDA SRS 77YW1RTU8V
Nikkaji J309.146E
PubChem 91886408 14865
PubChem: Thomson Pharma 14855141
SureChEMBL SCHEMBL359949

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