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Amantadine-d15

CAT: 0804-HY-B0402SSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0402SSize:10 mg
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Description
Amantadine-d15 is the deuterium labeled Amantadine. Amantadine (1-Adamantanamine) is an antiviral agent with activity against influenza A viruses. Amantadine blocks the proton flow through the M2 ion channel (M2 proton channel of influenza A) and thus prevents the release of viral RNA into the cytoplasm of the infected cells. Amantadine is an antiparkinsonian agent[1][2].
CAS Number
33830-10-3
Product Name Alternative
1-Adamantanamine-d15; 1-Aminoadamantane-d15
UNSPSC
12352211
Hazard Statement
H302, H314, H361, H412
Target
Apoptosis; Influenza Virus; Orthopoxvirus; SARS-CoV
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Apoptosis
Field of Research
Cancer; Infection; Neurological Disease
Purity
98.13
Solubility
10 mM in DMSO|DMSO : 10mg/mL (ultrasonic; adjust pH to 2 with 1M HCl)
Smiles
[2H]C1([2H])C2(C([2H])([2H])[C@@](C3([2H])[2H])([2H])C([2H])([2H])[C@]1([2H])C([2H])([2H])[C@@]3([2H])C2([2H])[2H])N
Molecular Formula
C10H2D15N
Molecular Weight
166.34
Precautions
H302, H314, H361, H412
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Suzuki H, et al. Emergence of amantadine-resistant influenza A viruses: epidemiological study. J Infect Chemother. 2003;9 (3) :195-200.|[3]Hubsher G, et al. Amantadine: the journey from fighting flu to treating Parkinson disease. Neurology. 2012;78 (14) :1096-1099.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1-Adamantan-d15-amine
CAS Number33830-10-3
PubChem CID45038100
IUPAC Name2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterioadamantan-1-amine
Molecular FormulaC10H17N
Molecular Weight166.34
XLogP2.4
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
[2H]C1(C2(C(C3(C(C1(C(C(C2([2H])[2H])(C3([2H])[2H])N)([2H])[2H])[2H])([2H])[2H])[2H])([2H])[2H])[2H])[2H]
InChI
InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D,8D,9D
InChIKey
DKNWSYNQZKUICI-BXSQCBKHSA-N
Chemical Structure
2D Structure
2D structure of 1-Adamantan-d15-amine
CAS: 33830-10-3
CID: 45038100
Formula: C10H17N
MW: 166.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight166.34
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass166.230250736
Monoisotopic Mass166.230250736
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
Isotope Atom Count15
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes