KEGG   COMPOUND: C11730Help
Entry
C11730                      Compound                               

Name
Temoporfin;
Foscan
Formula
C44H32N4O4
Exact mass
680.2424
Mol weight
680.7493
Structure
Mol fileKCF fileDB search
Remark
Same as: D06066
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XD Sensitizers used in photodynamic/radiation therapy
     L01XD05 Temoporfin
      D06066  Temoporfin (USAN/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D06066
BRITE hierarchy
Other DBs
CAS: 122341-38-2
PubChem: 13895
ChEBI: 9437
ChEMBL: CHEMBL500576
NIKKAJI: J609.499F
KCF data Show

ATOM        52
            1   N4x N    26.3661  -19.1253
            2   N5x N    23.9284  -19.0776
            3   N5x N    26.4547  -16.7284
            4   N4x N    23.9880  -16.6876
            5   C8y C    26.3661  -20.5393
            6   C8y C    27.9048  -19.1429
            7   C8y C    23.9284  -20.5393
            8   C8y C    22.4726  -19.0833
            9   C8y C    27.8395  -16.7225
            10  C8y C    26.4257  -15.2665
            11  C8y C    23.9880  -15.2665
            12  C8y C    22.6380  -16.6689
            13  C8y C    25.1480  -21.2556
            14  C8x C    27.6858  -21.2672
            15  C8y C    28.5151  -17.9537
            16  C8x C    28.6327  -20.3449
            17  C1x C    22.7090  -21.2382
            18  C8y C    21.8274  -17.8290
            19  C1x C    21.7447  -20.2796
            20  C8x C    28.5500  -15.5217
            21  C8y C    25.1944  -14.5690
            22  C8x C    27.6264  -14.5574
            23  C8x C    22.7683  -14.5690
            24  C8x C    21.8041  -15.5507
            25  C8y C    25.1395  -22.6697
            26  C8y C    25.1900  -13.1485
            27  C8y C    29.8491  -17.9365
            28  C8x C    26.4109  -12.4455
            29  C8x C    26.4065  -11.0250
            30  C8x C    25.1763  -10.3256
            31  C8y C    23.9505  -11.0326
            32  C8x C    23.9551  -12.4531
            33  C8x C    30.5245  -19.0772
            34  C8x C    31.8585  -19.1300
            35  C8x C    32.5106  -17.8933
            36  C8y C    31.8288  -16.8136
            37  C8x C    30.4877  -16.7679
            38  C8x C    23.9190  -23.3701
            39  C8x C    23.9174  -24.7841
            40  C8x C    25.1382  -25.4959
            41  C8y C    26.3673  -24.7866
            42  C8x C    26.3688  -23.3725
            43  O1a O    22.7203  -10.3332
            44  O1a O    27.5951  -25.4983
            45  O1a O    32.4809  -15.5840
            46  C8y C    20.4274  -17.8290
            47  C8x C    19.7396  -16.6378
            48  C8x C    18.3396  -16.6378
            49  C8x C    17.6396  -17.8502
            50  C8y C    18.3274  -19.0414
            51  C8x C    19.7274  -19.0414
            52  O1a O    17.6312  -20.2473
BOND        60
            1    23  24 1
            2    13  25 1
            3     1   5 1
            4     1   6 1
            5    21  26 1
            6     2   7 2
            7    15  27 1
            8     2   8 1
            9     3   9 2
            10    3  10 1
            11    4  11 1
            12    4  12 1
            13   26  28 2
            14   28  29 1
            15   29  30 2
            16   30  31 1
            17   31  32 2
            18   32  26 1
            19    5  13 2
            20    5  14 1
            21    6  15 2
            22    6  16 1
            23    7  17 1
            24   27  33 2
            25   33  34 1
            26   34  35 2
            27   35  36 1
            28   36  37 2
            29   37  27 1
            30    8  18 2
            31    8  19 1
            32    9  20 1
            33   10  21 2
            34   10  22 1
            35   25  38 2
            36   38  39 1
            37   39  40 2
            38   40  41 1
            39   41  42 2
            40   42  25 1
            41   11  23 2
            42   12  24 2
            43    7  13 1
            44    9  15 1
            45   11  21 1
            46   12  18 1
            47   31  43 1
            48   14  16 2
            49   17  19 1
            50   41  44 1
            51   20  22 2
            52   36  45 1
            53   18  46 1
            54   46  47 2
            55   47  48 1
            56   48  49 2
            57   49  50 1
            58   50  51 2
            59   46  51 1
            60   50  52 1

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