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Merck
CN

259187

Hexetidine, mixture of stereoisomers

Synonym(s):

5-Amino-1,3-bis(2-ethylhexyl)hexahydro-5-methylpyrimidine, NSC 17764

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About This Item

Empirical Formula (Hill Notation):
C21H45N3
CAS Number:
141-94-6
Molecular Weight:
339.60
NACRES:
NA.22
PubChem Substance ID:
24855691
UNSPSC Code:
12352100
EC Number:
205-513-5
MDL number:
MFCD00010428
Form:
liquid

Key Documents

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InChI key

DTOUUUZOYKYHEP-UHFFFAOYSA-N

InChI

1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3

SMILES string

CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1

form

liquid

refractive index

n20/D 1.4649 (lit.)

bp

160 °C/0.4 mmHg (lit.)

solubility

acetone: soluble(lit.), benzene: soluble(lit.), chloroform: soluble(lit.), ethanol: soluble(lit.), hexane: soluble(lit.), methanol: soluble(lit.), petroleum ether: soluble(lit.), water: insoluble(lit.)

density

0.889 g/mL at 25 °C (lit.)

General description

The effectiveness of a hexetidine mouthwash in reducing supragingival plaque and gingival inflammation has been examined.

Application

Involved in studies:
  • To identify pure liquid salt forms of aspirin
  • Of alkyl based selective displacers for protein purification via ion exchange chromatography
  • Of the in vivo application of models for testing drugs against nonreplicating Mycobacterium tuberculosis
  • Nutrient-sensitized screening for drugs that shift the energy metabolism from mitochondrial respiration to glycolysis
  • Inhibition of angiogensis
  • Screening antimalarial drugs

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

158.0 °F - closed cup

flash_point_c

70 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
STBH2507
STBF5568V
STBD4976V
STBC5027V
80596EJ

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H Pontefract et al.
Journal of clinical periodontology, 28(4), 319-324 (2001-04-21)
There are both anecdotal clinical and laboratory experimental data suggesting that low pH mouthrinses cause dental erosion. This evidence is particularly relevant to acidified sodium chlorite (ASC) formulations since they have plaque inhibitory properties comparable to chlorhexidine but without the
S Shapiro et al.
Caries research, 36(2), 93-100 (2002-05-31)
The ability of commercial mouthrinses to reduce total viable counts of mixed microbial populations was examined using a previously developed in vitro model of supragingival plaque. Exploratory experiments aimed at fine-tuning the model indicated that optimal correspondence between in vitro
P A Versteeg et al.
International journal of dental hygiene, 8(4), 269-275 (2010-10-22)
To test the plaque inhibitory effect of an experimental 0.07% cetylpyridinium chloride (CPC) mouthrinse in a 3-day plaque accumulation model in a cross-over design. A total of 30 subjects (non-dental students), ≥18 years of age, were randomly assigned to use
G R Linke et al.
Endoscopy, 44(7), 684-689 (2012-04-25)
Animal data and limited clinical evidence suggest a low incidence of infection following transvaginal natural orifice transluminal endoscopic surgery (NOTES). However, a systematic microbiological evaluation has not yet been carried out. The aim of this prospective cohort study was to
C P McCoy et al.
The Journal of pharmacy and pharmacology, 52(11), 1355-1359 (2001-02-24)
The non-antibiotic antimicrobial agent hexetidine is widely used at a concentration of 0.1% w/v as an oral rinse to reduce the number of viable microorganisms within the oral cavity. However, following use, the available concentration of hexetidine in the oral
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