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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2105897
CHEMBL2105897
Compound Name BARIUM SULFATE
ChEMBL Synonyms E-Z-HD | E-Z-CAT DRY | EPI-STAT 57 | BAR-TEST | ESOPHOTRAST | READI-CAT 2 SMOOTHIES | EPI-C | BARIUM SULFATE | TAGITOL V | READI-CAT 2 | LIQUID E-Z-PAQUE | VARIBAR | EPI-STAT 61 | BAROTRAST | BAROSPERSE II | BAROSPERSE | BAROCAT | BARICON | VARIBAR NECTAR | ORATRAST | E-Z-PAQUE
Max Phase 4 (Approved)
Trade Names BAR-TEST | EPI-STAT 57 | E-Z-CAT DRY | E-Z-HD | E-Z-PAQUE | ORATRAST | VARIBAR NECTAR | BARICON | BAROCAT | BAROSPERSE | BAROSPERSE II | BAROTRAST | EPI-STAT 61 | VARIBAR | LIQUID E-Z-PAQUE | READI-CAT 2 | TAGITOL V | EPI-C | READI-CAT 2 SMOOTHIES | ESOPHOTRAST
Molecular Formula BaO4S

Additional synonyms for CHEMBL2105897 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ba+2].[O-]S(=O)(=O)[O-]
Standard InChI InChI=1S/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
Standard InChI Key TZCXTZWJZNENPQ-UHFFFAOYSA-L

Sources

  • Orange Book
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2105897

Molecule Features

CHEMBL2105897 compound icon
Drug Type:Inorganic Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov BARIUM SULFATE
The Cochrane Collaboration BARIUM SULFATE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
233.4 233.857 - - - -


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 CHEMBL2105897

Compound Cross References

ChemSpider ChemSpider:TZCXTZWJZNENPQ-UHFFFAOYSA-L
DailyMed barium sulfate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2105897



ACToR 12751-32-5 13462-86-7 7727-43-7
ChEBI 133326
ChemicalBook CB9854295
DrugBank DB11150
eMolecules 478959
EPA CompTox Dashboard DTXSID0050471
FDA SRS 25BB7EKE2E
Nikkaji J2.268C
PubChem 517271 24414
PubChem: Thomson Pharma 15439972
SureChEMBL SCHEMBL7092

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