KEGG   DRUG: IotrolanHelp
Entry
D01714                      Drug                                   

Name
Iotrolan (JAN/USAN/INN);
Isovist 300 (TN)
Formula
C37H48I6N6O18
Exact mass
1625.7293
Mol weight
1626.2332
Structure
Mol fileKCF fileDB search
Remark
Therapeutic category: 7219
ATC code: V08AB06
Product: D01714<JP>
Efficacy
Diagnostic aid (radiopaque medium)
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08A X-RAY CONTRAST MEDIA, IODINATED
    V08AB Watersoluble, nephrotropic, low osmolar X-ray contrast media
     V08AB06 Iotrolan
      D01714  Iotrolan (JAN/USAN/INN) <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
     D01714  Iotrolan (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 79770-24-4
PubChem: 7848777
ChEBI: 31715
ChEMBL: CHEMBL1200555
LigandBox: D01714
NIKKAJI: J24.140G
LinkDB All DBs
KCF data Show

ATOM        67
            1   C5a C    32.6677  -13.1518
            2   N1b N    31.4534  -12.4527
            3   O5a O    33.8804  -12.4497
            4   C1c C    31.4517  -11.0515
            5   C1c C    30.2374  -10.3524
            6   C1b C    32.6642  -10.3494
            7   O1a O    33.8786  -11.0484
            8   C1b C    29.0249  -11.0545
            9   O1a O    30.2355   -8.9514
            10  O1a O    29.0267  -12.4558
            11  C8y C    32.7238  -14.5530
            12  C8y C    31.4367  -15.2536
            13  C8y C    31.4367  -16.6548
            14  C8y C    32.6530  -17.3554
            15  C8y C    33.8623  -16.6548
            16  C8y C    33.8623  -15.2536
            17  X   I    30.2235  -14.5523
            18  X   I    35.0762  -14.5538
            19  X   I    32.6547  -18.7566
            20  N1c N    30.2204  -17.3805
            21  C5a C    22.9526  -13.1659
            22  N1b N    24.1670  -12.4668
            23  O5a O    21.7401  -12.4638
            24  C8y C    22.9516  -14.5599
            25  C8y C    24.1689  -15.2606
            26  C8y C    24.1689  -16.6618
            27  C8y C    22.9524  -17.3623
            28  C8y C    21.7432  -16.6618
            29  C8y C    21.7432  -15.2606
            30  X   I    22.9507  -18.7636
            31  X   I    20.5291  -14.5609
            32  X   I    25.3821  -14.5594
            33  C5a C    20.5291  -17.3615
            34  N1b N    19.3213  -16.6548
            35  C1c C    18.1111  -17.3554
            36  C1c C    16.9010  -16.6548
            37  O5a O    20.5245  -18.7627
            38  O1a O    16.9010  -15.2536
            39  N1c N    25.3790  -17.3623
            40  C5a C    26.5892  -16.6689
            41  C1b C    27.7993  -17.3695
            42  C5a C    29.0094  -16.6760
            43  C1a C    25.4419  -18.7566
            44  C5a C    35.0670  -17.3482
            45  N1b N    36.2772  -16.6477
            46  C1c C    37.4872  -17.3413
            47  C1c C    38.6974  -16.6407
            48  O5a O    35.0599  -18.7495
            49  O1a O    38.7410  -15.2395
            50  C1a C    30.2284  -18.7818
            51  C1b C    18.1111  -18.7566
            52  C1b C    15.6871  -17.3547
            53  O1a O    14.4741  -16.6534
            54  C1b C    39.9121  -17.3392
            55  O1a O    41.1244  -16.6366
            56  C1b C    37.4903  -18.7425
            57  O5a O    26.5924  -15.2677
            58  O5a O    29.0139  -15.2749
            59  C1c C    24.1689  -11.0656
            60  C1c C    25.3833  -10.3665
            61  O1a O    25.3850   -8.9655
            62  C1b C    26.5958  -11.0686
            63  O1a O    26.5941  -12.4699
            64  C1b C    22.9562  -10.3635
            65  O1a O    21.7418  -11.0625
            66  O1a O    16.9115  -19.4494
            67  O1a O    38.6921  -19.4332
BOND        68
            1    25  32 1
            2    26  39 1
            3    27  28 2
            4    39  40 1
            5    28  33 1
            6    40  41 1
            7    28  29 1
            8    41  42 1
            9    33  34 1
            10   29  24 2
            11   34  35 1
            12   24  25 1
            13   35  36 1
            14   27  30 1
            15   25  26 2
            16   33  37 2
            17   29  31 1
            18   39  43 1
            19   12  17 1
            20   12  13 2
            21   42  20 1
            22   16  18 1
            23   15  44 1
            24   44  45 1
            25   14  19 1
            26   45  46 1
            27   13  14 1
            28   46  47 1
            29   13  20 1
            30   14  15 2
            31   44  48 2
            32   47  49 1
            33   15  16 1
            34   20  50 1
            35   16  11 2
            36    5   9 1
            37   35  51 1
            38    4   5 1
            39    8  10 1
            40   36  52 1
            41    1   3 2
            42   52  53 1
            43    1  11 1
            44   47  54 1
            45    4   6 1
            46   54  55 1
            47   46  56 1
            48    6   7 1
            49    2   4 1
            50   40  57 2
            51    5   8 1
            52   42  58 2
            53    1   2 1
            54   22  59 1
            55   11  12 1
            56   59  60 1
            57   24  21 1
            58   60  61 1
            59   21  22 1
            60   60  62 1
            61   21  23 2
            62   62  63 1
            63   26  27 1
            64   59  64 1
            65   36  38 1
            66   64  65 1
            67   51  66 1
            68   56  67 1

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