Amantanium Bromide
Basic information
- CAS
58158-77-3- Standard SMILES
CCCCCCCCCC[N+](C)(C)CCOC(=O)C12CC3CC(CC(C3)C1)C2.[Br-]- InChIKey
VSKHGXKMGTVPPY-UHFFFAOYSA-M- Molecular formula
- C25H46BrNO2
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 471.27119
Names & identifiers
- Preferred name
- Amantanium Bromide
- IUPAC
- 2-(adamantane-1-carbonyloxy)ethyl-decyl-dimethylazanium bromide
- English name
- AMANTANIUM BROMIDE
- Molecular formula
- C25H46NO2.Br
- Molecular weight
- 472.54
Names & synonyms
Amantanium bromide58158-77-3AmantolBromure d'amantaniumBromuro de amantanioAmantanil bromidumAmantanium bromide [INN]Amantanio bromuroUNII-K0435HZQ57K0435HZQ57Amantanio bromuro [Spanish]AMANTANIUM BROMIDE [MI]
Show more names
Amantanium bromide,98%Amantanium bromide, 10 mM in DMSOinhibit,Amantanium bromide,Amantanium,Inhibitor
AMANTANIUM BROMIDE [MART.]CR-898Decyl (2-hydroxyethyl)dimethylammonium bromide 1-adamantanecarboxylateDecyl(2-hydroxyethyl)dimethylammonium bromide 1-adamantanecarboxylate(2-(1-Tricyclo(3.3.1.1(3,7))decylcarbonyloxy)ethyl)decyldimethylammonium bromidAMANTANIUM BROMIDE (MART.)Ammonium, decyldimethyl(2-hydroxyethyl)-, bromide, 1-adamantanecarboxylate (ester)1-DECANAMINIUM, N,N-DIMETHYL-N-(2-((TRICYCLO(3.3.1.13,7)DEC-1-YLCARBONYL)OXY)ETHYL)-, BROMIDE
Database identifiers
- CAS
58158-77-3- PubChem CID
- 168906
- DTXSID
DTXSID40973729- ChEMBL
CHEMBL2106663- UNII
- K0435HZQ57
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Melting point
- 182 · 182-184°
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- FDA UNII
- 435 HZQ57 · K0435HZQ57
- Toxicity
- 50 orally · LD50 orally in mice: 910 mg/kg (Rovati)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orally in mice: 910 mg/kg (Rovati)
Chemistry & industry
Applications
DescriptionAmantanium bromide is a quaternary ammonium antibacterial/antifugal agent useful as a surgical antiseptic and for the topical therapy of mucous and cutaneous infections. It appears somewhat more effective than cetylpyridinium chloride and benzalkonium chloride.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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