KEGG   DRUG: Iotroxate meglumine
Entry
D03902                      Drug                                   
Name
Iotroxate meglumine;
Biliscopin DIC (TN)
Formula
C22H18I6N2O9. C7H17NO5
Exact mass
1410.6387
Mol weight
1411.03
Structure
Remark
Therapeutic category: 7219
ATC code: V08AC02
Chemical structure group: DG01181
Product (DG01181): D03902<JP>
Efficacy
Diagnostic aid (contrast medium)
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08A X-RAY CONTRAST MEDIA, IODINATED
    V08AC Watersoluble, hepatotropic X-ray contrast media
     V08AC02 Iotroxic acid
      D03902  Iotroxate meglumine <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  72  Intracorporeal diagnostic agents
   721  X-ray contrast media
    7219  Others
     D03902  Iotroxate meglumine
Other DBs
CAS: 72704-51-9
PubChem: 47205895
LigandBox: D03902
LinkDB
KCF data

ATOM        52
            1   C1a C    31.0460  -16.3781
            2   N1b N    32.2398  -15.6760
            3   C1b C    33.4335  -16.3781
            4   C1c C    34.6976  -15.6760
            5   C1c C    35.8913  -16.3781
            6   C1c C    37.0851  -15.6760
            7   C1c C    38.2788  -16.3781
            8   C1b C    39.5428  -15.7463
            9   O1a O    40.7366  -16.4483
            10  O1a O    34.6976  -14.2715
            11  O1a O    35.8913  -17.7826
            12  O1a O    37.0851  -14.2715
            13  O1a O    38.2788  -17.8528
            14  C8y C     6.2300  -16.1000
            15  C8x C     6.2300  -17.5000
            16  C8y C     7.4424  -18.2000
            17  C8y C     8.6549  -17.5000
            18  C8y C     8.6549  -16.1000
            19  C8y C     7.4424  -15.4000
            20  X   I     9.8860  -15.3890
            21  X   I     5.0176  -15.4000
            22  X   I     7.4424  -19.5998
            23  C6a C     7.4424  -14.0002
            24  O6a O     6.2132  -13.2903
            25  O6a O     8.6380  -13.3098
            26  N1b N     9.8860  -18.2110
            27  C5a C    11.0912  -17.5153
            28  C1b C    12.2735  -18.1981
            29  O5a O    11.0916  -16.1004
            30  O2a O    13.4675  -17.5088
            31  C1b C    14.6554  -18.1948
            32  C1b C    15.8465  -17.5071
            33  O2a O    17.0359  -18.1939
            34  C1b C    18.2262  -17.5066
            35  C1b C    19.4161  -18.1937
            36  O2a O    20.6062  -17.5065
            37  C1b C    21.7961  -18.1936
            38  C5a C    22.9862  -17.5065
            39  N1b N    24.1761  -18.1936
            40  O5a O    22.9863  -16.1002
            41  C8y C    25.3662  -17.5065
            42  C8y C    26.5561  -18.1936
            43  C8x C    27.7686  -17.4937
            44  C8y C    27.7687  -16.0937
            45  C8y C    26.5787  -15.4066
            46  C8y C    25.3663  -16.1065
            47  X   I    26.5561  -19.5998
            48  X   I    28.9943  -15.3860
            49  X   I    24.1315  -15.3933
            50  C6a C    26.5787  -14.0002
            51  O6a O    27.8071  -13.2908
            52  O6a O    25.3823  -13.3093
BOND        52
            1     6   7 1
            2     3   4 1
            3     7   8 1
            4     8   9 1
            5     4   5 1
            6     4  10 1 #Down
            7     2   3 1
            8     5  11 1 #Down
            9     5   6 1
            10    6  12 1 #Down
            11    1   2 1
            12    7  13 1 #Up
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   14  19 1
            19   18  20 1
            20   14  21 1
            21   16  22 1
            22   19  23 1
            23   23  24 1
            24   23  25 2
            25   17  26 1
            26   26  27 1
            27   27  28 1
            28   27  29 2
            29   28  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   38  40 2
            40   39  41 1
            41   41  42 2
            42   42  43 1
            43   43  44 2
            44   44  45 1
            45   45  46 2
            46   41  46 1
            47   42  47 1
            48   44  48 1
            49   46  49 1
            50   45  50 1
            51   50  51 1
            52   50  52 2

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