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1-Aminoadamantane sulphate

CAT: 0127-OR14312-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR14312-01Size:25 g
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CAS Number
31377-23-8
Synonyms
Adamantan-1-amine sulphate
MDL Number
MFCD00077251
Purity
96%
Smiles
N[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2.N[C@@]45C[C@@H]6C[C@@H](C[C@@H](C6)C4)C5.OS(=O)(=O)O

Chemical Information

Amantadine Sulfate

Amantadine sulfate is an alkylammonium sulfate salt obtained by combining amantadine and sulfuric acid in a 2:1 ratio. Used as an antiviral and antiparkinson drug. It has a role as a non-narcotic analgesic, an antiviral drug, an antiparkinson drug, a dopaminergic agent and a NMDA receptor antagonist. It contains an adamantan-1-aminium.

CAS Number31377-23-8
PubChem CID124108
IUPAC Namebis(adamantan-1-amine);sulfuric acid
Molecular FormulaC20H36N2O4S
Molecular Weight400.6
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity225
SMILES
C1C2CC3CC1CC(C2)(C3)N.C1C2CC3CC1CC(C2)(C3)N.OS(=O)(=O)O
InChI
InChI=1S/2C10H17N.H2O4S/c2*11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-5(2,3)4/h2*7-9H,1-6,11H2;(H2,1,2,3,4)
InChIKey
MYWTWSQFJLXGGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amantadine Sulfate
CAS: 31377-23-8
CID: 124108
Formula: C20H36N2O4S
MW: 400.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass400.23957881
Monoisotopic Mass400.23957881
Topological Polar Surface Area135 Ų
Heavy Atom Count27
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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