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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106566
CHEMBL2106566
Compound Name CALCIUM PHOSPHATE, TRIBASIC
ChEMBL Synonyms BONE ASH | CALCIUM PHOSPHATE, TRIBASIC | BONE POWDER, PURIFIED
Max Phase 0
Trade Names
Molecular Formula Ca3O8P2

Additional synonyms for CHEMBL2106566 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].[Ca+2].[Ca+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]
Standard InChI InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2 ...
Download InChI
Standard InChI Key QORWJWZARLRLPR-UHFFFAOYSA-H

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106566

Molecule Features

CHEMBL2106566 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 PHOSPHATE, TRIBASIC
The Cochrane Collaboration CALCIUM PHOSPHATE, TRIBASIC

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
310.2 309.7946 - - - -


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 CHEMBL2106566

Compound Cross References

ChemSpider ChemSpider:QORWJWZARLRLPR-UHFFFAOYSA-H

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106566



ACToR 7758-87-4 21063-37-6 10103-46-5 123211-19-8 12167-74-7
Brenda 129620
ChEBI 9679
ChemicalBook CB3125692
DrugBank DB11348
EPA CompTox Dashboard DTXSID1049803
FDA SRS K4C08XP666
KEGG Ligand C08136
MolPort MolPort-003-925-398
PubChem 516943 24456
PubChem: Thomson Pharma 14776534
SureChEMBL SCHEMBL2006

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