Mrv0541 01131515492D          

 19 20  0  0  0  0            999 V2000
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   -1.0052    0.7523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -1.0052    1.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7197    0.3398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1383    0.3398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4238    1.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7197    1.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4342    0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528    0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4342    1.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1218   -0.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7033   -0.3746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9467   -0.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2908   -1.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3592   -1.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217   -1.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9467   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -0.0439    0.0000 H   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
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  1  0  0  0  0
 12  1  1  0  0  0  0
  1 13  1  1  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  2  0  0  0  0
  2 19  1  1  0  0  0
M  END
> <ID>
CHEBI:51860

> <NAME>
dexmethylphenidate

> <DEFINITION>
A methyl phenyl(piperidin-2-yl)acetate in which both stereocentres have R configuration.  It is the active enantiomer in the racemic drug methylphenidate.

> <STAR>
3

> <SYNONYM>
methyl (R)-phenyl[(R)-piperidin-2-yl]acetate; d-threo-methylphenidate; (+)-threo-methylphenidate

> <IUPAC_NAME>
methyl (2R)-phenyl[(2R)-piperidin-2-yl]acetate

> <INN>
dexmetilfenidato; dexmethylphenidatum; dexmethylphenidate; dexmethylphenidate

> <FORMULA>
C14H19NO2

> <MASS>
233.30620

> <MONOISOTOPIC_MASS>
233.14158

> <CHARGE>
0

> <SMILES>
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1

> <INCHI>
InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1

> <INCHIKEY>
DUGOZIWVEXMGBE-CHWSQXEVSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6116309

> <CAS_REGISTRY_NUMBER>
40431-64-9

> <CHEMIDPLUS>
40431-64-9

> <WIKIPEDIA_ACCESSION>
Dexmethylphenidate

$$$$