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Merck
CN

53752

Sigma-Aldrich

Hyamine® 1622

≥96.0% (AT)

Synonym(s):

Benzethonium chloride, (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride, Phemerol chloride

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About This Item

Empirical Formula (Hill Notation):
C27H42ClNO2
CAS Number:
121-54-0
Molecular Weight:
448.08
Beilstein:
3898548
EC Number:
204-479-9
MDL number:
MFCD00011742
UNSPSC Code:
12161900

Key Documents

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description

cationic

Assay

≥96.0% (AT)

impurities

~2% water

mp

162-164 °C (lit.)

SMILES string

[Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1

InChI

1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1

InChI key

UREZNYTWGJKWBI-UHFFFAOYSA-M

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Other Notes

This product has been replaced by B8879-SIGMA | Benzethonium chloride ≥97% (titration), ≥98% (HPLC)

Legal Information

Hyamine is a registered trademark of Lonza Group Ltd.

Signal Word

Danger

Hazard Statements

H301,H314,H410

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 2

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Michael J Orsini et al.
Journal of medicinal chemistry, 50(3), 462-471 (2007-02-03)
Metastin, also known as KiSS-1, the cognate ligand for the metastin receptor GPR54, is a peptide known to dramatically reduce metastasis in experimental models. Despite this, there is no reported structure for metastin nor any small molecule modulators of metastin
Naoto Kojima et al.
Bioorganic & medicinal chemistry, 18(24), 8630-8641 (2010-11-16)
The convergent synthesis of fluorescence-labeled solamin, an antitumor Annonaceous acetogenin, was accomplished by two asymmetric alkynylations of 2,5-diformyl tetrahydrofuran with an alkyne tagged with fluorescent groups and another alkyne with an α,β-unsaturated γ-lactone. Assay for the growth inhibitory activity against
T Ichikawa et al.
Journal of dentistry, 36(11), 965-968 (2008-09-10)
The purpose of this study was to evaluate if the sugar alcohols erythritol, xylitol and sorbitol enhance the fungicidal effect of benzethonium chloride (BTC) toward in vitro candidal biofilms. An in vitroCandida albicans biofilm was formed on a plastic coverslip
Elisabeth Lang et al.
Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology, 28(2), 347-354 (2011-08-26)
Benzethonium, an antimicrobial surfactant widely used as preservative of pharmaceuticals, topical wound care product and oral disinfectant, triggers apoptosis of several cell types. The apoptosis is preceded and possibly triggered by mitochondrial depolarization. Even though lacking mitochondria, erythrocytes may similarly
Brandon Findlay et al.
Bioorganic & medicinal chemistry letters, 22(4), 1499-1503 (2012-01-31)
Here we present a proof-of-concept study, combining two known antimicrobial agents into a hybrid structure in order to develop an emergent cationic detergent-like interaction with the bacterial membrane. Six amphiphilic conjugates were prepared by copper (I)-catalyzed 1,3-dipolar cycloaddition between a
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