ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106140
CHEMBL2106140
Compound Name CALCIUM SULFATE
ChEMBL Synonyms CALCIUM SULFATE
Max Phase 0
Trade Names
Molecular Formula CaO4S

Additional synonyms for CHEMBL2106140 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].[O-]S(=O)(=O)[O-]
Standard InChI InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
Standard InChI Key OSGAYBCDTDRGGQ-UHFFFAOYSA-L

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106140

Molecule Features

CHEMBL2106140 compound icon
Drug Type:Inorganic 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 SULFATE
The Cochrane Collaboration CALCIUM SULFATE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
136.1 135.9143 - - - -


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 CHEMBL2106140

Compound Cross References

ChemSpider ChemSpider:OSGAYBCDTDRGGQ-UHFFFAOYSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106140



ACToR 7778-18-9 146522-67-0
Brenda 92865
ChEBI 31346
ChemicalBook CB7151358
eMolecules 713159
EPA CompTox Dashboard DTXSID9029699
FDA SRS E934B3V59H
KEGG Ligand C13194
Nikkaji J43.738G
PubChem 24497 522675
PubChem: Thomson Pharma 15264865
SureChEMBL SCHEMBL4120

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