Mrv0541 11061316002D          

 21 23  0  0  0  0            999 V2000
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    6.2615   -4.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6905   -3.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6905   -4.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5471   -2.8214    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8326   -3.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1181   -4.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -4.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -3.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1181   -2.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6892   -4.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1181   -1.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9760   -1.9964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2616   -1.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2616   -0.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9760   -0.3464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6905   -0.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6905   -1.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
> <ID>
CHEBI:76016

> <NAME>
vortioxetine

> <DEFINITION>
An N-arylpiperazine in which the aryl group is specified as 2-[(2,4-dimethylphenyl)sulfanyl]phenyl. Used (as its hydrobromide salt) for treatment of major depressive disorder.

> <STAR>
3

> <SYNONYM>
Lu AA21004

> <IUPAC_NAME>
1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine

> <INN>
vortioxetinum; vortioxetine; vortioxetine; vortioxetina

> <FORMULA>
C18H22N2S

> <MASS>
298.44600

> <MONOISOTOPIC_MASS>
298.15037

> <CHARGE>
0

> <CAS_REGISTRY_NUMBER>
508233-74-7

> <REAXYS_REGISTRY_NUMBER>
11341374

> <CHEMIDPLUS>
508233-74-7

> <KEGG_DRUG_ACCESSION>
D10184

> <WIKIPEDIA_ACCESSION>
Vortioxetine

> <PUBMED_CITATION>
21767441; 22171087; 22209361; 22448783; 22475889; 22495621; 22496396; 22572889; 22612991; 22898365; 22901346; 22901736; 22963932; 22978748; 23089374; 23252878; 23380522; 23428337; 23531115; 23588319; 23721744; 23903233; 23916504; 23975654; 24016840

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