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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1446813
CHEMBL1446813
Compound Name BETAHISTINE HYDROCHLORIDE
ChEMBL Synonyms BETAHISTINE MESILATE | SERC | BETAHISTINE HYDROCHLORIDE | SERC-8 | SERC-16 | PT-9
Max Phase 4 (Approved)
Trade Names SERC | SERC-16 | SERC-8
Molecular Formula C8H14Cl2N2

Additional synonyms for CHEMBL1446813 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.Cl.CNCCc1ccccn1
Standard InChI InChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5, ...
Download InChI
Standard InChI Key XVDFMHARQUBJRE-UHFFFAOYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1446813

Molecule Features

CHEMBL1446813 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ObesityD009765EFO:0001073obesity1ClinicalTrials
ClinicalTrials
Attention Deficit Disorder with HyperactivityD001289EFO:0003888attention deficit hyperactivity disorder1ClinicalTrials

Clinical Data

ClinicalTrials.gov BETAHISTINE HYDROCHLORIDE
The Cochrane Collaboration BETAHISTINE 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
136.2 136.1 0.84 3 24.92 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.75 -.02 -2.45 1 10 0.67

Structural Alerts

There are no structural alerts for CHEMBL1446813

Compound Cross References

ChemSpider ChemSpider:XVDFMHARQUBJRE-UHFFFAOYSA-N
PubChem SID: 26749927

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1446813



ACToR 5579-84-0
ChemicalBook CB8390055
eMolecules 10229644
EPA CompTox Dashboard DTXSID10204355
FDA SRS 49K58SMZ7U
Mcule MCULE-2088823050
MolPort MolPort-003-666-316
PubChem 57515925 68643
PubChem: Thomson Pharma 15195699
Selleck betahistine-dihydrochloride
SureChEMBL SCHEMBL60646

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