Basic information
- CAS
13900-14-6- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1- InChIKey
YXUPZGKORWTXID-UHFFFAOYSA-N- Molecular formula
- C22H40NO+
- Average molar mass
- 334.6 g/mol
- Monoisotopic mass
- 334.3109899
Overview
Domiphen is an aromatic ether.
Names & identifiers
- Preferred name
- N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium
- IUPAC
- dodecyl-dimethyl-(2-phenoxyethyl)azanium
- English name
- DOMIPHEN
- Molecular weight
- 0
Names & synonyms
DomiphenPhenododeciniumDomiphen cationDomiphen ion13900-14-64AZL56CU0Fdodecyldimethyl(2-phenoxyethyl)ammoniumDTXSID2048080N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium1-dodecanaminium, n,n-dimethyl-n-(2-phenoxyethyl)(beta-phenoxyethyl)dimethyldodecylammoniumRefChem:590362
Show more names
DODECYLDIMETHYL(2-PHENOXYETHYL)AZANIUMDTXCID3028051Beta-(Phenoxyethyl)DimethyldodecylammoniumDodecyl-dimethyl-(2-phenoxyethyl)azaniumUNII-4AZL56CU0FN,N-dimethyl-N-(2-phenoxyethyl)dodecan-1-aminiumNCGC00091010-03dodecyl-dimethyl-(2-phenoxyethyl)azanium bromide
Database identifiers
- CAS
13900-14-6- PubChem CID
- 3149
- DTXSID
DTXSID2048080- ChEMBL
CHEMBL1187011- ChEBI
CHEBI:135978- UNII
- 4AZL56CU0F
- Nikkaji
- J8.455G
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 271
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 129 · 129-130 °C
- FDA UNII
- 4 AZL56CU0F · 4AZL56CU0F
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Pharmacodynamics
The efficacy and tolerability of domiphen bromide (domifen bromide), administered at a dosage of 0.5 mg every 4-6 hr in a double-blind placebo controlled study in 31 patients affected by acute infectious dental diseases, are described. After 2 days of treatment with the drug, there was a significant decrease in pain and inflammation. The drug elicited a good response, improved prognosis and reduced the number of days of illness.
Mechanism of ActionDomiphen bromide is a quaternary antiseptic with actions and uses similar to those of cationic surfactants.
Applications
UsesAntiinfective, topical.
Suppliers3 total
Pharmaffiliates Analytics and Synthetics P. Ltd[email protected]
VITAS-BB—
Pharma Affiliates@pharmaffiliates.com
Additional notes
DefinitionChEBI: Domiphen is an aromatic ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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