Marvin  02230911442D          

 20 23  0  0  0  0            999 V2000
    0.4538   -0.4925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3713   -0.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8856    0.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7845    0.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9681    0.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7565   -0.0907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3612    0.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3893    1.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1777    1.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0412    1.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7020    0.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -0.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3068    1.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0952    1.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2787    0.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7838   -1.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8662   -1.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3713   -1.9215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4537   -1.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7838   -2.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
 11 10  1  0  0  0  0
 10  4  1  0  0  0  0
  8  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  9  8  1  0  0  0  0
 11 13  2  0  0  0  0
  3 11  1  0  0  0  0
 12  3  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 12 15  1  0  0  0  0
  2 16  1  0  0  0  0
  1 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <ID>
CHEBI:6950

> <NAME>
mirtazapine

> <STAR>
3

> <SYNONYM>
Mirtazapine; 1,2,3,4,10,14b-Hexahydro-2-methylpyrazino(2,1-a)pyrido(2,3-c)benzazepine

> <IUPAC_NAME>
2-methyl-1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine

> <INN>
mirtazapinum; mirtazapine; mirtazapina

> <FORMULA>
C17H19N3

> <MASS>
265.35290

> <MONOISOTOPIC_MASS>
265.15790

> <CHARGE>
0

> <SMILES>
CN1CCN2C(C1)c1ccccc1Cc1cccnc21

> <INCHI>
InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3

> <INCHIKEY>
RONZAEMNMFQXRA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
549345

> <CAS_REGISTRY_NUMBER>
61337-67-5

> <CHEMIDPLUS>
61337-67-5

> <DRUGBANK_ACCESSION>
DB00370

> <KEGG_COMPOUND_ACCESSION>
C07570

> <KEGG_DRUG_ACCESSION>
D00563

> <LINCS_ACCESSION>
LSM-1706

> <WIKIPEDIA_ACCESSION>
Mirtazapine

> <PUBMED_CITATION>
10446735; 10653218; 16965209; 18548827; 33163376; 33422759; 33559900; 33685359; 33841403; 33856954

$$$$