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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
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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.)

SMILES string

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

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

InChI key

DTOUUUZOYKYHEP-UHFFFAOYSA-N

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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