ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106119
CHEMBL2106119
Compound Name CALCIUM GLUCONATE
ChEMBL Synonyms CALGLUCON | CALCIUM GLUCONATE | H-F ANTIDOTE
Max Phase 4 (Approved)
Trade Names H-F ANTIDOTE | CALGLUCON
Molecular Formula C12H22CaO14

Additional synonyms for CHEMBL2106119 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@ ...
Download SMILES
Standard InChI InChI=1S/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2- ...
Download InChI
Standard InChI Key NEEHYRZPVYRGPP-IYEMJOQQSA-L

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2106119

Molecule Features

CHEMBL2106119 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Mineral supplement Not Available

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
OsteoporosisD010024EFO:0003882osteoporosis0ClinicalTrials
HypocalcemiaD006996HP:0002901Hypocalcemia4FDA
Ovarian Hyperstimulation SyndromeD016471Orphanet:64739Ovarian hyperstimulation syndrome2ClinicalTrials
Colorectal NeoplasmsD015179EFO:1001951colorectal carcinoma3ClinicalTrials
Peripheral Nervous System DiseasesD010523EFO:0004149neuropathy1ClinicalTrials

Clinical Data

ClinicalTrials.gov CALCIUM GLUCONATE
The Cochrane Collaboration CALCIUM GLUCONATE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
430.4 430.0635 - - - -


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 CHEMBL2106119

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A12 - MINERAL SUPPLEMENTS
A12A - CALCIUM
A12AA - Calcium
A12AA03 - calcium gluconate

D - DERMATOLOGICALS
D11 - OTHER DERMATOLOGICAL PREPARATIONS
D11A - OTHER DERMATOLOGICAL PREPARATIONS
D11AX - Other dermatologicals
D11AX03 - calcium gluconate

ChemSpider ChemSpider:NEEHYRZPVYRGPP-IYEMJOQQSA-L
DailyMed calcium gluconate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106119



ACToR 18016-24-5
DrugBank DB11126
eMolecules 26756719 713017
EPA CompTox Dashboard DTXSID2029618
FDA SRS SQE6VB453K
KEGG Ligand C08133
MolPort MolPort-006-111-145
Nikkaji J2.984J
PubChem 9290 10982878
PubChem: Thomson Pharma 16040487 56248354
SureChEMBL SCHEMBL24132

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