Synonym
Cetalkonium chloride
IUPAC/Chemical Name
Ammonium, benzyldimethylhexadecyl-, chloride
InChi Key
SXPWTBGAZSPLHA-UHFFFAOYSA-M
InChi Code
InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1
SMILES Code
CCCCCCCCCCCCCCCC[N+](C)(CC1=CC=CC=C1)C.[Cl-]
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
396.10
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Long Y, Lin Z, Xia M, Zheng W, Li Z. Mechanism of HERG potassium channel inhibition by tetra-n-octylammonium bromide and benzethonium chloride. Toxicol Appl Pharmacol. 2013 Mar 1;267(2):155-66. doi: 10.1016/j.taap.2012.12.021. Epub 2013 Jan 8. PubMed PMID: 23313619; PubMed Central PMCID: PMC4884629.
2: Issa YM, Mohamed SH, Baset MA. Chemically modified carbon paste and membrane sensors for the determination of benzethonium chloride and some anionic surfactants (SLES, SDS, and LABSA): Characterization using SEM and AFM. Talanta. 2016 Aug 1;155:158-67. doi: 10.1016/j.talanta.2016.04.043. Epub 2016 Apr 21. PubMed PMID: 27216669.
3: Zaman Z, Speeleveld E, Sneyers L, Desmet K. Inhibition of acetylcholine esterase and choline esterase by benzethonium chloride and avoidance of the benzethonium chloride carry-over inhibitory effect. Eur J Clin Chem Clin Biochem. 1997 Aug;35(8):603-7. PubMed PMID: 9298350.
4: Yip KW, Mao X, Au PY, Hedley DW, Chow S, Dalili S, Mocanu JD, Bastianutto C, Schimmer A, Liu FF. Benzethonium chloride: a novel anticancer agent identified by using a cell-based small-molecule screen. Clin Cancer Res. 2006 Sep 15;12(18):5557-69. PubMed PMID: 17000693.
