KEGG   DRUG: TemoporfinHelp
Entry
D06066                      Drug                                   

Name
Temoporfin (USAN/INN)
Formula
C44H32N4O4
Exact mass
680.2424
Mol weight
680.7493
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C11730
ATC code: L01XD05
Efficacy
Antineoplastic, Photosensitizer
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: 47207724
ChEBI: 9437
ChEMBL: CHEMBL500576
LigandBox: D06066
LinkDB All DBs
KCF data Show

ATOM        52
            1   N4x N    26.2897  -19.1387
            2   N5x N    23.8360  -19.1387
            3   N5x N    26.3598  -16.7552
            4   N4x N    23.9061  -16.6851
            5   C8y C    26.2897  -20.5409
            6   C8y C    27.8320  -19.1387
            7   C8y C    23.8360  -20.5409
            8   C8y C    22.3638  -19.1387
            9   C8y C    27.7619  -16.7552
            10  C8y C    26.3598  -15.2830
            11  C8y C    23.9061  -15.2830
            12  C8y C    22.5040  -16.6851
            13  C8y C    25.0278  -21.3120
            14  C8x C    27.6217  -21.3120
            15  C8y C    28.3929  -17.9470
            16  C8x C    28.5331  -20.4006
            17  C1x C    22.5741  -21.2419
            18  C8y C    21.7329  -17.9470
            19  C1x C    21.6627  -20.3305
            20  C8x C    28.4630  -15.5634
            21  C8y C    25.0979  -14.5819
            22  C8x C    27.5516  -14.5819
            23  C8x C    22.6442  -14.5819
            24  C8x C    21.6627  -15.5634
            25  C8y C    25.0278  -22.7141
            26  C8y C    25.0979  -13.1798
            27  C8x C    26.2897  -12.4787
            28  C8x C    26.2897  -11.0766
            29  C8x C    25.0979  -10.3756
            30  C8y C    23.8360  -11.0766
            31  C8x C    23.8360  -12.4787
            32  C8x C    23.8360  -23.4152
            33  C8x C    23.8360  -24.8173
            34  C8x C    25.0278  -25.5183
            35  C8y C    26.2897  -24.8173
            36  C8x C    26.2897  -23.4152
            37  O1a O    22.6442  -10.3756
            38  O1a O    27.4815  -25.5183
            39  C8y C    20.3329  -17.9470
            40  C8x C    19.6134  -16.6999
            41  C8x C    18.2134  -16.6995
            42  C8x C    17.5130  -17.9117
            43  C8y C    18.2325  -19.1588
            44  C8x C    19.6325  -19.1592
            45  O1a O    17.5152  -20.4011
            46  C8y C    29.7929  -17.9470
            47  C8x C    30.4880  -19.1504
            48  C8x C    31.8880  -19.1501
            49  C8x C    32.5877  -17.9375
            50  C8y C    31.8926  -16.7341
            51  C8x C    30.4926  -16.7344
            52  O1a O    32.6007  -15.5066
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     2   8 1
            8     3   9 2
            9     3  10 1
            10    4  11 1
            11    4  12 1
            12   26  27 2
            13   27  28 1
            14   28  29 2
            15   29  30 1
            16   30  31 2
            17   31  26 1
            18    5  13 2
            19    5  14 1
            20    6  15 2
            21    6  16 1
            22    7  17 1
            23    8  18 2
            24    8  19 1
            25    9  20 1
            26   10  21 2
            27   10  22 1
            28   25  32 2
            29   32  33 1
            30   33  34 2
            31   34  35 1
            32   35  36 2
            33   36  25 1
            34   11  23 2
            35   12  24 2
            36    7  13 1
            37    9  15 1
            38   11  21 1
            39   12  18 1
            40   30  37 1
            41   14  16 2
            42   17  19 1
            43   35  38 1
            44   20  22 2
            45   18  39 1
            46   39  40 2
            47   40  41 1
            48   41  42 2
            49   42  43 1
            50   43  44 2
            51   39  44 1
            52   43  45 1
            53   15  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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