Marvin  02041112492D          

 16 17  0  0  0  0            999 V2000
    9.3233   -8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0378   -9.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3233   -9.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6089   -7.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0378   -7.9403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7523   -9.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6089   -7.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7523   -8.3528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8944   -6.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6089   -9.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4668   -9.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3233   -6.7028    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8944   -8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8944   -5.8778    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1799   -7.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1799   -7.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  3  2  1  0  0  0  0
  6  2  2  0  0  0  0
 10  3  1  0  0  0  0
  7  4  2  0  0  0  0
 13  4  1  0  0  0  0
  8  5  2  0  0  0  0
  8  6  1  0  0  0  0
 11  6  1  0  0  0  0
  9  7  1  0  0  0  0
 12  7  1  0  0  0  0
 14  9  1  0  0  0  0
 16  9  2  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
> <ID>
CHEBI:6367

> <NAME>
lamotrigine

> <DEFINITION>
A member of the class of 1,2,4-triazines in which the triazene skeleton is substituted by amino groups at positions 3 and 5, and by a 2,3-dichlorophenyl group at position 6.

> <STAR>
3

> <SYNONYM>
3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine

> <IUPAC_NAME>
6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine

> <INN>
lamotriginum; lamotrigine; lamotrigina

> <BRAND_NAME>
Lamictal

> <FORMULA>
C9H7Cl2N5

> <MASS>
256.09100

> <MONOISOTOPIC_MASS>
255.00785

> <CHARGE>
0

> <SMILES>
Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl

> <INCHI>
InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)

> <INCHIKEY>
PYZRQGJRPPTADH-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
84057-84-1

> <REAXYS_REGISTRY_NUMBER>
7589268

> <CHEMIDPLUS>
84057-84-1

> <DRUGBANK_ACCESSION>
DB00555

> <KEGG_DRUG_ACCESSION>
D00354

> <LINCS_ACCESSION>
LSM-4104

> <NIST_CHEMISTRY_WEBBOOK>
84057-84-1

> <WIKIPEDIA_ACCESSION>
Lamotrigine

> <PUBMED_CITATION>
19430925; 20825390; 21242744

$$$$