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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3707210
CHEMBL3707210
Compound Name ALUMINIUM OXIDE
ChEMBL Synonyms BRASIVOL 3 | BRASIVOL 1 | BRASIVOL 2 | ALUMINIUM OXIDE | ALUM OX
Max Phase 4 (Approved)
Trade Names BRASIVOL 2 | BRASIVOL 3 | ALUM OX | BRASIVOL 1
Molecular Formula H6Al2O3

Additional synonyms for CHEMBL3707210 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-2].[O-2].[O-2].[Al+3].[Al+3]
Standard InChI InChI=1S/2Al.3O/q2*+3;3*-2
Standard InChI Key PNEYBMLMFCGWSK-UHFFFAOYSA-N

Sources

  • British National Formulary
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL3707210

Molecule Features

CHEMBL3707210 compound icon
Drug Type:Inorganic 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 ALUMINIUM OXIDE
The Cochrane Collaboration ALUMINIUM OXIDE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
108 107.9948 - - - -


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 CHEMBL3707210

Compound Cross References

ATC D - DERMATOLOGICALS
D10 - ANTI-ACNE PREPARATIONS
D10A - ANTI-ACNE PREPARATIONS FOR TOPICAL USE
D10AX - Other anti-acne preparations for topical use
D10AX04 - aluminium oxide

ChemSpider ChemSpider:PNEYBMLMFCGWSK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3707210



ChemicalBook CB3490231 CB9853056
DrugBank DB11342
eMolecules 880835
FDA SRS LMI26O6933
MolPort MolPort-023-221-755
PubChem 9989226
PubChem: Thomson Pharma 14967498
SureChEMBL SCHEMBL7729

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