Marvin  12020813212D          

 14 15  0  0  0  0            999 V2000
   -0.5893    0.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3038    0.5304    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3038   -0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5893   -0.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252   -0.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9098    0.7853    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9098   -0.5496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3947    0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0182    0.9429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2197    0.1178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7327    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4472    0.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1616    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  2 10  1  6  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <ID>
CHEBI:8356

> <NAME>
pramipexole

> <DEFINITION>
A member of the class of benzothiazoles that is 4,5,6,7-tetrahydro-1,3-benzothiazole in which the hydrogens at the 2 and 6-pro-S-positions are substituted by amino and propylamino groups, respectively.

> <STAR>
3

> <SYNONYM>
2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N(sup 6)-propyl-, (S)-; (-)-Pramipexole

> <IUPAC_NAME>
(6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

> <INN>
pramipexolum; pramipexole; pramipexole; pramipexol

> <FORMULA>
C10H17N3S

> <MASS>
211.32820

> <MONOISOTOPIC_MASS>
211.11432

> <CHARGE>
0

> <SMILES>
CCCN[C@H]1CCc2nc(N)sc2C1

> <INCHI>
InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1

> <INCHIKEY>
FASDKYOPVNHBLU-ZETCQYMHSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6479326

> <CAS_REGISTRY_NUMBER>
104632-26-0

> <CHEMIDPLUS>
104632-26-0

> <DRUGBANK_ACCESSION>
DB00413

> <KEGG_DRUG_ACCESSION>
D05575

> <LINCS_ACCESSION>
LSM-5243

> <WIKIPEDIA_ACCESSION>
Pramipexole

$$$$