18087
  CDK     1116211335

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.5080    0.6683    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6683    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  2  8  1  0  0  0  0 
  3  9  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  2  0  0  0  0 
  5 10  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6 11  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8  9  1  0  0  0  0 
M  END
> <ID>
CHEBI:183853

> <NAME>
Clopidol

> <STAR>
2

> <IUPAC_NAME>
3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one

> <FORMULA>
C7H7Cl2NO

> <MASS>
192.040

> <MONOISOTOPIC_MASS>
190.99047

> <CHARGE>
0

> <SMILES>
ClC1=C(NC(=C(Cl)C1=O)C)C

> <INCHI>
InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)

> <INCHIKEY>
ZDPIZLCVJAAHHR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2971-90-6

> <CHEMIDPLUS>
2971-90-6

> <KEGG_DRUG_ACCESSION>
D03559

$$$$