Marvin  12020814302D          

 17 19  0  0  0  0            999 V2000
   -2.3571    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0716    0.6482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7861    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7861   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0716   -1.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3571   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6427   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9282   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9282    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6427    0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2137    0.6482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1682    0.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7557   -0.5489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5807   -0.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8356    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6427    1.4732    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
> <ID>
CHEBI:3175

> <NAME>
brimonidine

> <STAR>
3

> <SYNONYM>
Bromoxidine; Brimonidine; brimonidine; 5-Bromo-6-(2-imidazolin-2-ylamino)quinoxaline

> <IUPAC_NAME>
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine

> <INN>
brimonidinum; brimonidine; brimonidina

> <FORMULA>
C11H10BrN5

> <MASS>
292.13500

> <MONOISOTOPIC_MASS>
291.01196

> <CHARGE>
0

> <SMILES>
Brc1c(NC2=NCCN2)ccc2nccnc12

> <INCHI>
InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)

> <INCHIKEY>
XYLJNLCSTIOKRM-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
751629

> <CAS_REGISTRY_NUMBER>
59803-98-4

> <CHEMIDPLUS>
59803-98-4

> <DRUGBANK_ACCESSION>
DB00484

> <KEGG_COMPOUND_ACCESSION>
C07886

> <KEGG_DRUG_ACCESSION>
D07540

> <LINCS_ACCESSION>
LSM-3526

> <WIKIPEDIA_ACCESSION>
Brimonidine

$$$$