lacosamide
  CDK     0223171740
null
 18 18  0  0  0  0  0  0  0  0999 V2000
   -1.0727   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7872   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0707   -1.9734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3562   -0.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2161   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0707   -2.7985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2161   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -1.9734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851   -4.0370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2161   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  2  0  0  0  0 
  3  6  1  0  0  0  0 
  7  4  1  0  0  0  0 
  4  8  2  0  0  0  0 
  5  9  1  0  0  0  0 
  6 10  2  0  0  0  0 
  7 11  1  1  0  0  0 
  7 12  1  0  0  0  0 
  9 13  2  0  0  0  0 
 10 13  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 14 17  2  0  0  0  0 
 15 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:135939

> <NAME>
lacosamide

> <STAR>
2

> <SYNONYM>
vimpat; SPM-927; harkoseride; ertosamide; erlosamide

> <FORMULA>
C13H18N2O3

> <MASS>
250.294

> <MONOISOTOPIC_MASS>
250.13174

> <CHARGE>
0

> <SMILES>
C(NC([C@H](NC(C)=O)COC)=O)C1=CC=CC=C1

> <INCHI>
InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1

> <INCHIKEY>
VPPJLAIAVCUEMN-GFCCVEGCSA-N

> <CAS_REGISTRY_NUMBER>
175481-36-4

$$$$