KEGG   DRUG: D01312Help
Entry
D01312                      Drug                                   

Name
Iodoxamic acid (JAN/USAN/INN);
Endobil (TN)
Formula
C26H26I6N2O10
Exact mass
1287.5856
Mol weight
1287.9189
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Diagnostic aid [radiopaque medium]
Remark
ATC code: 
Drug group: 
Interaction
Drug 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
     V08AC01 Iodoxamic acid
      D01312  Iodoxamic acid (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
31127-82-9
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        44
            1   C8y C    16.3745  -12.6480
            2   C8x C    16.3745  -14.0494
            3   C8y C    17.5910  -14.7501
            4   C8y C    18.8004  -14.0494
            5   C8y C    18.8004  -12.6480
            6   C8y C    17.5910  -11.9474
            7   X   I    20.0146  -11.9484
            8   X   I    15.1613  -11.9469
            9   X   I    17.5929  -16.1514
            10  C6a C    17.5929  -10.5460
            11  O6a O    18.8074   -9.8469
            12  O6a O    16.3801   -9.8438
            13  N1b N    20.0146  -14.7492
            14  C5a C    21.2277  -14.0477
            15  C1b C    22.4419  -14.7473
            16  O5a O    21.2267  -12.6463
            17  C1b C    23.6548  -14.0458
            18  O2a O    24.8690  -14.7456
            19  C1b C    26.0777  -14.0424
            20  C1b C    27.2880  -14.7431
            21  C5a C    28.4982  -14.0424
            22  N1b N    29.7085  -14.7431
            23  C8y C    30.9187  -14.0424
            24  O5a O    28.4980  -12.6700
            25  C8y C    32.1600  -14.7567
            26  C8x C    33.3714  -14.0549
            27  C8y C    33.3694  -12.6549
            28  C8y C    32.1281  -11.9406
            29  C8y C    30.9166  -12.6424
            30  X   I    32.1624  -16.1696
            31  X   I    29.7326  -11.9614
            32  X   I    34.5895  -11.9480
            33  C6a C    32.1261  -10.5700
            34  O6a O    30.9156   -9.8734
            35  O6a O    33.3405   -9.8666
            36  C1b C    22.4419  -14.7473
            37  C1b C    23.6548  -14.0458
            38  O2a O    24.8690  -14.7456
            39  C1b C    22.4419  -14.7473
            40  C1b C    23.6548  -14.0458
            41  O2a O    24.8690  -14.7456
            42  C1b C    22.4419  -14.7473
            43  C1b C    23.6548  -14.0458
            44  O2a O    24.8690  -14.7456
BOND        45
            1    21  22 1
            2    10  11 1
            3    22  23 1
            4     5   6 2
            5    10  12 2
            6     6   1 1
            7     4  13 1
            8    13  14 1
            9     5   7 1
            10    1   2 2
            11   14  16 2
            12    1   8 1
            13    2   3 1
            14    3   9 1
            15    3   4 2
            16   19  20 1
            17    6  10 1
            18   20  21 1
            19    4   5 1
            20   21  24 2
            21   23  25 2
            22   25  26 1
            23   26  27 2
            24   27  28 1
            25   28  29 2
            26   23  29 1
            27   25  30 1
            28   29  31 1
            29   27  32 1
            30   28  33 1
            31   33  34 2
            32   33  35 1
            33   14  15 1
            34   15  17 1
            35   17  18 1
            36   18  36 1
            37   36  37 1
            38   37  38 1
            39   38  39 1
            40   39  40 1
            41   40  41 1
            42   41  42 1
            43   42  43 1
            44   43  44 1
            45   44  19 1
BRACKET     1    22.4000  -15.8900   22.4000  -13.7200
            1    25.1300  -13.7200   25.1300  -15.8900
            1  4
 ORIGINAL  1   15  17  18
 REPEAT    1   36  37  38  39  40  41  42  43  44

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