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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106111
CHEMBL2106111
Compound Name CALCIUM LACTATE
ChEMBL Synonyms PREQUIST POWDER | CALCIUM LACTATE
Max Phase 4 (Approved)
Trade Names PREQUIST POWDER
Molecular Formula C6H10CaO6

Additional synonyms for CHEMBL2106111 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].CC(O)C(=O)[O-].CC(O)C(=O)[O-]
Standard InChI InChI=1S/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;; ...
Download InChI
Standard InChI Key MKJXYGKVIBWPFZ-UHFFFAOYSA-L

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2106111

Molecule Features

CHEMBL2106111 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 LACTATE
The Cochrane Collaboration CALCIUM LACTATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

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 CHEMBL2106111

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A12 - MINERAL SUPPLEMENTS
A12A - CALCIUM
A12AA - Calcium
A12AA05 - calcium lactate

ChemSpider ChemSpider:MKJXYGKVIBWPFZ-UHFFFAOYSA-L
PubChem SID: 144208576 SID: 144213213

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106111



ACToR 5743-48-6 814-80-2 145179-24-4
Brenda 167974
eMolecules 901499
EPA CompTox Dashboard DTXSID0020236
Nikkaji J2.113J
PubChem 521805 13144
SureChEMBL SCHEMBL4319

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