Amantadin

Amantadine

HCID 2130CAS 768-94-5

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Grundinformationen

Standard-SMILES: NC12CC3CC(CC(C3)C1)C2
InChIKey: DKNWSYNQZKUICI-UHFFFAOYSA-N
Summenformel: C10H17N
Durchschnittliche Molmasse: 151,25 g/mol
Monoisotopische Masse: 151,13609955

Namen und Bezeichner

Bevorzugter Name: Amantadine
IUPAC: adamantan-1-amine
Lokaler Name: Amantadin
Englischer Name: Amantadine
Summenformel: C10H17N
Molmasse: 151.25

Namen und Synonyme

amantadine1-Adamantanamine768-94-5adamantan-1-amine1-Adamantylamine1-AminoadamantaneAdamantanamineAdamantylamineAmantidineAminoadamantaneAdamantaminePk-merz

Weitere Namen anzeigen

(3s,5s,7s)-adaMantan-1-aMine

AmantadinaAmantadinumGocovriViregytNSC-341865DTXSID8022117Tricyclo[3.3.1.13,7]decan-1-amineTricyclo(3.3.1.1(sup 3.7))decan-1-amine

Datenbank-Bezeichner

CAS: 768-94-5
PubChem CID: 2130
DTXSID: DTXSID8022117
ChEMBL: CHEMBL660
ChEBI: CHEBI:2618
UNII: BF4C9Z1J53
EC Number: 212-201-2
Nikkaji: J6.971J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 144

Physikochemische Eigenschaften

Schmelzpunkt: 206 · 206-208 °C(lit.)
Siedepunkt: 263.29 °C · 263.29°C (rough estimate)
Dichte: 0.951 · 0.9510 (rough estimate)
Brechungsindex: 1.522 · 1.5220 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: 1 M · 1 M HCl: soluble5%, clear to hazy, colorless to faint yellow or tan
Aggregatzustand: Powder
pka: 10.1 · 10.1(at 25℃)
Farbe: White to cream
Wasserlöslichkeit: Soluble in organic solvents. Insoluble in water.
Merck: 14 · 14,374
BRN: 2204333 · 2204333
Major Application: food and beveragespersonal carepharmaceutical
InChI: 1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/t7-,8+,9-,10-
InChIKey: DKNWSYNQZKUICI-UHFFFAOYSA-N
SMILES: NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
CAS Datenbank: 768 · 768-94-5(CAS DataBase Reference)
NIST chemische Informationen: 3.3 · Tricyclo[3.3.1.13,7]decane-1-amine(768-94-5)
EPA chemische Informationen: 3.3 · Tricyclo[3.3.1.13,7]decan-1-amine (768-94-5)

Sicherheit und Regulatorisches

Sicherheitsdaten

F: 10-34
wgk: 3
tsca: TSCA listed
hs_code: 29213000
RTECS-Nr.: YD1925000
risk_code: 22-36/37/38
Toxizität: LD50 oral in rat: 900mg/kg
hazard_code: Xn,Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Giftige Stoffe Daten: 768-94-5(Hazardous Substances Data)
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungAmantadine is an agent that raises the concentration of dopamine in the synaptic cleft by releasing it from neurons and suppressing the process of reuptake.

VerwendenAmantadine is a primary amine derivative of adamantane. It has an effect on mycoviruses, which are RNA-containing viruses. It has a very narrow spectrum of action and is used only for treating and preventing influenza A. It is also used for treating Parkinsonism. The exact mechanism of antiviral action of amantadine is not completely understood. It is believed that it is an ion channel blocker. It has also been suggested that amantadine inhibits absorption of viral particles into the host cell, which is expressed in the breakdown of diffusion of the virus into the cell, or inhibition of the “stripping process” of the virus. The main use is for the prevention of type A2 influenza. Synonyms of this drug are simmetrel, viregit, mantadan, and others.