Marvin  01240811292D          

 12 13  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4465   -0.8919    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1609   -1.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3079   -1.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4465   -0.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9012   -0.0669    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  8  4  1  0  0  0  0
  5  2  1  0  0  0  0
  9  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
  7 11  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
> <ID>
CHEBI:2619

> <NAME>
amantadine hydrochloride

> <DEFINITION>
A hydrochloride obtained by combining amantadine and hydrochloric acid in equimolar amounts.

> <STAR>
3

> <SYNONYM>
tricyclo[3.3.1.1(3,7)]decan-1-aminium chloride; Amantadine hydrochloride; 1-Aminoadamantene hydrochlorid; 1-Aminoadamantane hydrochloride; 1-Adamantylamine hydrochloride; 1-Adamantanamine hydrochloride

> <IUPAC_NAME>
adamantan-1-aminium chloride

> <BRAND_NAME>
Symmetrel

> <FORMULA>
C10H17N.HCl; C10H18ClN

> <MASS>
187.70936

> <MONOISOTOPIC_MASS>
187.11278

> <CHARGE>
0

> <SMILES>
[Cl-].[NH3+]C12CC3CC(CC(C3)C1)C2

> <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

> <BEILSTEIN_REGISTRY_NUMBER>
4198854

> <CAS_REGISTRY_NUMBER>
665-66-7

> <GMELIN_REGISTRY_NUMBER>
838463

> <REAXYS_REGISTRY_NUMBER>
4198854

> <CHEMIDPLUS>
665-66-7

> <DRUGBANK_ACCESSION>
DB00915

> <KEGG_COMPOUND_ACCESSION>
C07939

> <KEGG_DRUG_ACCESSION>
D00777

> <WIKIPEDIA_ACCESSION>
Amantadine

> <PUBMED_CITATION>
11054856; 16170253; 20020057; 24263176; 24614731; 24695262

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