adamantan-1-amine hydrochloride

• ChemBase ID: 55388
• Molecular Formular: C10H18ClN
• Molecular Mass: 187.70962
• Monoisotopic Mass: 187.11277726
• SMILES: C1C2CC3(CC1CC(C2)C3)N.Cl
• Canonical SMILES: NC12CC3CC(C2)CC(C1)C3.Cl
• InChI: InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H
• InChIKey: WOLHOYHSEKDWQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: adamantan-1-amine hydrochloride
• IUPAC Traditional name: amantadine hydrochloride; amantidine hydrochloride
• Synonyms: Symmetrel; Amantadine hydrochloride; Amantadine hydrochloride; 1-Aminoadamantane hydrochloride; 1-Adamantanamine hydrochloride; Amantadine; Tricyclodecane; 1-ADAMANTANAMINE HYDROCHLORIDE; Tricyclo[3.3.1.13,7]decan-1-amine Hydrochloride; EXP-105-1; NSC-83653; Adekin; Lysovir; Mantadan; Mantadine; Mantadix; Virofral; 1-Adamantylamine hydrochloride; 1-金刚胺盐酸盐

Database IDs

• CAS Number: 665-66-7
• EC Number: 211-560-2
• MDL Number: MFCD00074723
• Beilstein Number: 4198854
• Merck Index: 14374
• PubChem SID: 162060151
• PubChem CID: 64150

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5643042
• LogD (pH = 7.4): -1.3837394
• Log P: 1.4659475
• Molar Refractivity: 45.5356 cm^3
• Polarizability: 18.504875 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol; Water
• Apperance: White Solid
• Melting Point: > 300°C; >300°C (dec); 360°C

Safety Information

• Storage Condition: -20°C; -20°C Freezer; Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic; IRRITANT
• RTECS: AU4375000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2811
• Hazard Class: 6.1
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 22-63; R:22
• Safety Statements: 36/37; S:36/37/39
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: false; 是
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H361-H302
• GHS Precautionary statements: P281-P264-P301+P312-P308+P313-P405-P501A

Product Information

• Purity: 98%; 99%
• Salt Data: hydrochloride

DETAILS

MP Biomedicals - 02100187

Hydrochloride
Crystalline
Purity: 99%
Anti-viral activity

Selleck Chemicals - S2451

Research Area: Infection
Biological Activity:
Amantadine hydrochloride(Symmetrel) is used to treat or prevent infections of the respiratory tract caused by a certain virus. It acts by slowing the growth of the virus. Amantadine is also used to treat symptoms of Parkinson s disease and to treat the side effects caused by certain psychiatric drugs. Amantadine is the organic compound known formally as 1-aminoadamantane. The molecule consists of adamantane backbone that is substituted at one of the four methyne positions with an amino group.[1]

Toronto Research Chemicals - A575820

NMDA-receptor antagonist. Antiviral; antiparkinsonian.

REFERENCES

• http://en.wikipedia.org/wiki/Amantadine
• Vernier, V.G., et al; Toxicol. Appl. Pharmacol., 15, 642 (1969)
• Kirschbaum, J., et al.: Anal. Profiles Drug Subs., 12, 1 (1969)