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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9324
CHEMBL9324
Compound Name TETRYLAMMONIUM
ChEMBL Synonyms Tetraethylammonium chloride | Tetrylammonium bromide | TEAB
Max Phase 0
Trade Names
Molecular Formula C8H20N+

Additional synonyms for CHEMBL9324 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[N+](CC)(CC)CC
Standard InChI InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1
Standard InChI Key CBXCPBUEXACCNR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL9324

Molecule Features

CHEMBL9324 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov TETRYLAMMONIUM
The Cochrane Collaboration TETRYLAMMONIUM

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
130.3 130.159 1.88 4 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -3.26 -3.26 0 9 0.51

Structural Alerts

There are 1 structural alerts for CHEMBL9324. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CBXCPBUEXACCNR-UHFFFAOYSA-N
PubChem SID: 11111868 SID: 50111261 SID: 90340838
Wikipedia Tetraethylammonium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9324



ACToR 66-40-0
BindingDB 50149890
Brenda 33694 58897
ChEBI 44296
DrugBank DB08837
EPA CompTox Dashboard DTXSID2045024
FDA SRS 5AV7G7EIEE
Guide to Pharmacology 4575 2343
IBM Patent System 30DFD85EDB05F075290AE7424F68CDB2
KEGG Ligand C07512
Mcule MCULE-8812335475
Nikkaji J91.253K
NMRShiftDB 20045263
PDBe NET
PubChem 5413
PubChem: Thomson Pharma 15297244
SureChEMBL SCHEMBL16267
ZINC ZINC000000896981

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