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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106388
CHEMBL2106388
Compound Name CALCIUM HYDROXIDE
ChEMBL Synonyms CALCIUM HYDROXIDE
Max Phase 4 (Approved)
Trade Names
Molecular Formula H2CaO2

Additional synonyms for CHEMBL2106388 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [OH-].[OH-].[Ca+2]
Standard InChI InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2
Standard InChI Key AXCZMVOFGPJBDE-UHFFFAOYSA-L

Sources

  • British National Formulary
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106388

Molecule Features

CHEMBL2106388 compound icon
Drug Type:Inorganic Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PainD010146EFO:0003843pain2ClinicalTrials
Dental Pulp ExposureD003789EFO:1001782dental pulp exposure2ClinicalTrials
Dental CariesD003731EFO:0003819dental caries1ClinicalTrials

Clinical Data

ClinicalTrials.gov CALCIUM HYDROXIDE
The Cochrane Collaboration CALCIUM HYDROXIDE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
74.1 73.9681 - - - -


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 CHEMBL2106388

Compound Cross References

ChemSpider ChemSpider:AXCZMVOFGPJBDE-UHFFFAOYSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106388



ACToR 1305-62-0
ChEBI 31341
ChemicalBook CB9853016
eMolecules 713201 479265
EPA CompTox Dashboard DTXSID7034410
FDA SRS PF5DZW74VN
KEGG Ligand C12277
MolPort MolPort-006-113-164
Nikkaji J43.728J
PubChem 6093208 14777
PubChem: Thomson Pharma 15982630 15461781
SureChEMBL SCHEMBL1759

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