KEGG   COMPOUND: C11273Help
Entry
C11273                      Compound                               

Name
Acriflavine
Formula
C14H14N3. C13H11N3. Cl
Exact mass
468.1829
Mol weight
468.9806
Structure
Mol fileKCF fileDB search
Brite
Classification of Japanese OTC drugs [BR:br08313]
 Agents for respiratory organs
  27 Gargles
   C11273  Acriflavine
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Acriflavine
    C11273  Acriflavine
BRITE hierarchy
Other DBs
CAS: 8048-52-0
PubChem: 13450
ChEMBL: CHEMBL2360628
NIKKAJI: J1.600.303D
KCF data Show

ATOM        34
            1   C8x C    16.7919  -17.6216
            2   C8y C    16.7919  -19.0235
            3   C8x C    18.0098  -19.7280
            4   C8x C    18.0098  -16.9242
            5   C8y C    19.2207  -17.6216
            6   C8y C    19.2847  -19.0235
            7   N5x N    20.4266  -19.7332
            8   C8x C    20.4386  -16.9295
            9   C8y C    21.6506  -17.6319
            10  C8y C    21.6379  -19.0303
            11  C8x C    22.8435  -19.7437
            12  C8y C    24.0615  -19.0521
            13  C8x C    24.0741  -17.6538
            14  C8x C    22.8687  -16.9474
            15  N1a N    15.5804  -19.7211
            16  N1a N    25.2593  -19.7562
            17  C8x C    30.6825  -17.6847
            18  C8y C    30.6825  -19.0866
            19  C8x C    31.9004  -19.7909
            20  C8x C    31.9004  -16.9802
            21  C8y C    33.1113  -17.6847
            22  C8y C    33.1052  -19.0866
            23  N5y N    34.3170  -19.7960 #+
            24  C8x C    34.3290  -16.9855
            25  C8y C    35.5411  -17.6950
            26  C8y C    35.5284  -19.0932
            27  C8x C    36.7340  -19.8066
            28  C8y C    37.9519  -19.1150
            29  C8x C    37.9646  -17.7168
            30  C8x C    36.7592  -17.0103
            31  N1a N    29.4708  -19.7769
            32  N1a N    39.1497  -19.8191
            33  C1a C    34.3143  -21.1979
            34  X   Cl   30.9639  -23.0810 #-
BOND        37
            1    12  13 1
            2    13  14 2
            3    14   9 1
            4     2  15 1
            5     1   2 2
            6    12  16 1
            7     5   6 1
            8     6   7 1
            9     7  10 2
            10    9   8 2
            11    8   5 1
            12    2   3 1
            13    3   6 2
            14    5   4 2
            15    4   1 1
            16    9  10 1
            17   10  11 1
            18   11  12 2
            19   17  18 2
            20   18  19 1
            21   19  22 2
            22   21  20 2
            23   20  17 1
            24   21  22 1
            25   22  23 1
            26   23  26 2
            27   25  24 2
            28   24  21 1
            29   25  26 1
            30   26  27 1
            31   27  28 2
            32   28  29 1
            33   29  30 2
            34   30  25 1
            35   18  31 1
            36   28  32 1
            37   23  33 1

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