Marvin  07151315502D          

 16 18  0  0  0  0            999 V2000
   -1.4732    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1877    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1877   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4732   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7588   -1.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0442   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0442    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7588    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6702    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6702   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6167   -1.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0992   -1.0313    0.0000 N   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
  9 10  2  0  0  0  0
 11  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
> <ID>
CHEBI:8452

> <NAME>
3,6-diaminoacridine

> <DEFINITION>
An aminoacridine that is acridine that is substituted by amino groups at positions 3 and 6. A slow-acting bacteriostat that is effective against many Gram-positive bacteria (but ineffective against spores), its salts were formerly used for treatment of burns and infected wounds.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45272; CHEBI:44910

> <SYNONYM>
Proflavin; 3,6-acridinediamine; 2,8-Diaminoacridine

> <IUPAC_NAME>
acridine-3,6-diamine

> <INN>
proflavinum; proflavine; proflavine; proflavina

> <FORMULA>
C13H11N3

> <MASS>
209.24650

> <MONOISOTOPIC_MASS>
209.09530

> <CHARGE>
0

> <SMILES>
Nc1ccc2cc3ccc(N)cc3nc2c1

> <INCHI>
InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2

> <INCHIKEY>
WDVSHHCDHLJJJR-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
166050

> <CAS_REGISTRY_NUMBER>
92-62-6

> <REAXYS_REGISTRY_NUMBER>
166050

> <CHEMIDPLUS>
92-62-6

> <DRUGBANK_ACCESSION>
DB01123

> <KEGG_COMPOUND_ACCESSION>
C11181

> <NIST_CHEMISTRY_WEBBOOK>
92-62-6

> <PDBECHEM_ACCESSION>
PRL

> <WIKIPEDIA_ACCESSION>
Proflavine

> <PUBMED_CITATION>
11960666; 20178341; 21435875; 2242050; 22555876; 22978751; 6987510; 7009393; 8579793

$$$$