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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200949
CHEMBL1200949
Compound Name BETAZOLE HYDROCHLORIDE
ChEMBL Synonyms BETAZOLE HYDROCHLORIDE | BETAZOLIUM CHLORIDE | AMETAZOLE | HISTALOG
Max Phase 4 (Approved)
Trade Names HISTALOG
Molecular Formula C5H10ClN3

Additional synonyms for CHEMBL1200949 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.NCCc1cc[nH]n1
Standard InChI InChI=1S/C5H9N3.ClH/c6-3-1-5-2-4-7-8-5;/h2,4H,1,3,6H2,(H,7,8 ...
Download InChI
Standard InChI Key HLJRAERMLKNULP-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1200949

Molecule Features

CHEMBL1200949 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Histamine H2 receptor agonist Histamine H2 receptor ISBN PubMed

Clinical Data

ClinicalTrials.gov BETAZOLE HYDROCHLORIDE
The Cochrane Collaboration BETAZOLE HYDROCHLORIDE

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
111.2 111.0796 -0.09 2 54.7 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.21 -.35 -1.97 1 8 0.56

Structural Alerts

There are no structural alerts for CHEMBL1200949

Compound Cross References

ChemSpider ChemSpider:HLJRAERMLKNULP-UHFFFAOYSA-N
PubChem SID: 144204280 SID: 170465002 SID: 56463652

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200949



ACToR 138-92-1
EPA CompTox Dashboard DTXSID6047789
PubChem 16051987
SureChEMBL SCHEMBL1237742

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