Marvin  10210510052D          

 11 13  0  0  0  0            999 V2000
    2.7206    1.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7206    0.9068    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1495    0.9068    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4350    0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9885    0.4274    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9885    1.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1495    1.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2741    0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7429    0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4350    2.1443    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4350    2.9693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  0  0  0  0
 10  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  1  0  0  0  0
  9  3  1  0  0  0  0
  3  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  1  0  0  0  0
  8  2  1  0  0  0  0
  5  6  1  0  0  0  0
 10  6  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:2618

> <NAME>
amantadine

> <DEFINITION>
A member of the class of  adamantanes that is used as an antiviral and  antiparkinson drug.

> <STAR>
3

> <SYNONYM>
tricyclo[3.3.1.1(3,7)]decane-1-amine; tricyclo[3.3.1.1(3,7)]decan-1-ylamine; tricyclo[3.3.1.1(3,7)]decan-1-amine; Aminoadamantane; Amantidine; Amantadine; 1-aminoadamantane; 1-adamantylamine; 1-adamantanamine

> <IUPAC_NAME>
adamantan-1-ylamine

> <INN>
amantadinum; amantadine; amantadina

> <BRAND_NAME>
Virosol; Viregyt

> <FORMULA>
C10H17N

> <MASS>
151.24870

> <MONOISOTOPIC_MASS>
151.13610

> <CHARGE>
0

> <SMILES>
NC12CC3CC(CC(C3)C1)C2

> <INCHI>
InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2

> <INCHIKEY>
DKNWSYNQZKUICI-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2204333

> <CAS_REGISTRY_NUMBER>
768-94-5

> <GMELIN_REGISTRY_NUMBER>
27066

> <REAXYS_REGISTRY_NUMBER>
2204333

> <CHEMIDPLUS>
768-94-5

> <DRUGBANK_ACCESSION>
DB00915

> <KEGG_COMPOUND_ACCESSION>
C06818

> <KEGG_DRUG_ACCESSION>
D07441

> <NIST_CHEMISTRY_WEBBOOK>
768-94-5

> <WIKIPEDIA_ACCESSION>
Amantadine

> <PUBMED_CITATION>
23011311; 24371305; 24427376

$$$$