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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106123
CHEMBL2106123
Compound Name CALCIUM CITRATE
ChEMBL Synonyms CITRACAL | CALCIUM CITRATE
Max Phase 4 (Approved)
Trade Names CITRACAL
Molecular Formula C12H10Ca3O14

Additional synonyms for CHEMBL2106123 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].[Ca+2].[Ca+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC( ...
Download SMILES
Standard InChI InChI=1S/2C6H8O7.3Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2* ...
Download InChI
Standard InChI Key FNAQSUUGMSOBHW-UHFFFAOYSA-H

Sources

  • British National Formulary
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2106123

Molecule Features

CHEMBL2106123 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov CALCIUM CITRATE
The Cochrane Collaboration CALCIUM CITRATE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
498.4 497.8948 - - - -


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 CHEMBL2106123

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A12 - MINERAL SUPPLEMENTS
A12A - CALCIUM
A12AA - Calcium
A12AA13 - calcium citrate

ChemSpider ChemSpider:FNAQSUUGMSOBHW-UHFFFAOYSA-H

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106123



ACToR 813-94-5 5785-44-4 12405-04-8
ChemicalBook CB7153589
DrugBank DB11093
EPA CompTox Dashboard DTXSID7061148
FDA SRS 86117BWO7P
MolPort MolPort-039-138-667
PubChem 91886343 4548420 129679860 13136
PubChem: Thomson Pharma 14985948
SureChEMBL SCHEMBL29775

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