BENZALKONIUM CHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII F5UM2KM3W7

Structure

InChI Key XIWFQDBQMCDYJT-UHFFFAOYSA-M
Smiles CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChI
InChI=1S/C22H40N.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22;/h14-16,18-19H,4-13,17,20-21H2,1-3H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H40ClN
Molecular Weight 354.02
AlogP 6.57
Number of Rotational Bond 14.0
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 78.42-400.69
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 78.42-400.69

Cross References

Resources Reference
ChEMBL CHEMBL502109
FDA SRS F5UM2KM3W7
SureChEMBL SCHEMBL631295
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