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MedKoo Cat#: 412593 | Name: Cetalkonium (free base)

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Cetalkonium (free base) is used as a preservative.

Chemical Structure

Cetalkonium (free base)
CAS#10328-34-4 (free base)

Theoretical Analysis

MedKoo Cat#: 412593

Name: Cetalkonium (free base)

CAS#: 10328-34-4 (free base)

Chemical Formula: C25H46N+

Exact Mass: 360.3625

Molecular Weight: 360.65

Elemental Analysis: C, 83.26; H, 12.86; N, 3.88

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
122-18-9 (Cl) 10328-34-4 (free base)
Synonym
Cetalkonium (free base); Bonjela; UNII-FHG725432Z
IUPAC/Chemical Name
Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-
InChi Key
QDYLMAYUEZBUFO-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H46N/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/q+1
SMILES Code
C[N+](C)(CCCCCCCCCCCCCCCC)CC1=CC=CC=C1
Appearance
Solid powder
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 360.65 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.

Recalculate based on batch purity %
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: Daull P, Lallemand F, Garrigue JS. Benefits of cetalkonium chloride cationic oil-in-water nanoemulsions for topical ophthalmic drug delivery. J Pharm Pharmacol. 2014 Apr;66(4):531-41. doi: 10.1111/jphp.12075. PMID: 24001405; PMCID: PMC4283994. 2: Torres-Luna C, Hu N, Koolivand A, Fan X, Zhu Y, Domszy R, Yang J, Yang A, Wang NS. Effect of a Cationic Surfactant on Microemulsion Globules and Drug Release from Hydrogel Contact Lenses. Pharmaceutics. 2019 Jun 6;11(6):262. doi: 10.3390/pharmaceutics11060262. PMID: 31174291; PMCID: PMC6631260. 3: Pande YN. Double-blind controlled trial of a throat spray containing benzocaine and cetalkonium chloride on postoperative adult tonsillectomy patients. Br J Clin Pract. 1970 Jun;24(6):253-4. PMID: 4917414. 4: Daull P, Guenin S, Hamon de Almeida V, Garrigue JS. Anti-inflammatory activity of CKC-containing cationic emulsion eye drop vehicles. Mol Vis. 2018 Jul 20;24:459-470. PMID: 30078983; PMCID: PMC6054836. 5: Daull P, Raymond E, Feraille L, Garrigue JS. Safety and Tolerability of Overdosed Artificial Tears by Abraded Rabbit Corneas. J Ocul Pharmacol Ther. 2018 Dec;34(10):670-676. doi: 10.1089/jop.2018.0040. Epub 2018 Oct 12. PMID: 30312113; PMCID: PMC6302909. 6: Torres-Luna C, Hu N, Tammareddy T, Domszy R, Yang J, Wang NS, Yang A. Extended delivery of non-steroidal anti-inflammatory drugs through contact lenses loaded with Vitamin E and cationic surfactants. Cont Lens Anterior Eye. 2019 Oct;42(5):546-552. doi: 10.1016/j.clae.2019.04.011. Epub 2019 May 11. PMID: 31085116. 7: Torres-Luna C, Koolivand A, Fan X, Agrawal NR, Hu N, Zhu Y, Domszy R, Briber RM, Wang NS, Yang A. Formation of Drug-Participating Catanionic Aggregates for Extended Delivery of Non-Steroidal Anti-Inflammatory Drugs from Contact Lenses. Biomolecules. 2019 Oct 10;9(10):593. doi: 10.3390/biom9100593. PMID: 31658626; PMCID: PMC6843253. 8: Daniel A, Hartmann P, Giumelli B, Poitou P, Vezin JC. Etude de l'efficacité antalgique d'un gel associant le salicylate de choline et le chlorure de cétalkonium sur diverses ulcérations buccales [Analgesic efficacy of a gel combining choline salicylate and cetalkonium chloride on various mouth ulcerations]. Therapie. 1983 Jan-Feb;38(1):81-4. French. PMID: 6603032. 9: Liang H, Brignole-Baudouin F, Rabinovich-Guilatt L, Mao Z, Riancho L, Faure MO, Warnet JM, Lambert G, Baudouin C. Reduction of quaternary ammonium-induced ocular surface toxicity by emulsions: an in vivo study in rabbits. Mol Vis. 2008 Jan 31;14:204-16. PMID: 18347566; PMCID: PMC2254971. 10: Daull P, Feraille L, Elena PP, Garrigue JS. Comparison of the Anti- Inflammatory Effects of Artificial Tears in a Rat Model of Corneal Scraping. J Ocul Pharmacol Ther. 2016 Mar;32(2):109-18. doi: 10.1089/jop.2015.0054. Epub 2016 Jan 11. PMID: 26751507; PMCID: PMC4779975.