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Amantanium bromide

CAT: 1410-M24573-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M24573-03Size:10 mg
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Description
Amantanium bromide is a quaternary ammonium compound used as an antiseptic/disinfectant for therapeutic function.
CAS Number
58158-77-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
472.54
Molecular Formula
C25H46BrNO2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Amantanium Bromide
CAS Number58158-77-3
PubChem CID168906
IUPAC Name2-(adamantane-1-carbonyloxy)ethyl-decyl-dimethylazanium bromide
Molecular FormulaC25H46BrNO2
Molecular Weight472.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count29
Formal Charge0
Complexity457
SMILES
CCCCCCCCCC[N+](C)(C)CCOC(=O)C12CC3CC(C1)CC(C3)C2.[Br-]
InChI
InChI=1S/C25H46NO2.BrH/c1-4-5-6-7-8-9-10-11-12-26(2,3)13-14-28-24(27)25-18-21-15-22(19-25)17-23(16-21)20-25;/h21-23H,4-20H2,1-3H3;1H/q+1;/p-1
InChIKey
VSKHGXKMGTVPPY-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Amantanium Bromide
CAS: 58158-77-3
CID: 168906
Formula: C25H46BrNO2
MW: 472.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass471.27119
Monoisotopic Mass471.27119
Topological Polar Surface Area26.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-U00080-01Amantanium bromide
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CB0105Cetyldimethylethyl ammonium bromide (Ethylhexadecyldimethylammonium bromide)
AR-I03852-01Ipratropium Bromide Impurity 11 Bromide
AR-U01225-01Umeclidinium Bromide Impurity 6 Bromide
AR-R11297-01Rocuronium Bromide Impurity 7 Bromide
O5553-02Octylonium Bromide (Spasmonen. Otilonium Bromide)
AR-I03850-01Ipratropium Bromide Impurity 6 Bromide
AR-U01227-01Umeclidinium Bromide Impurity 12 Bromide
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