KEGG   DRUG: Iodamide
Entry
D01376                      Drug                                   
Name
Iodamide (JAN/USAN/INN);
Jodomiron (TN)
Formula
C12H11I3N2O4
Exact mass
627.7853
Mol weight
627.94
Structure
Simcomp
Remark
ATC code: V08AA03
Chemical structure group: DG01174
Efficacy
Diagnostic aid (radiopaque medium)
Interaction
Structure map
map07110  Benzoic acid family
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08A X-RAY CONTRAST MEDIA, IODINATED
    V08AA Watersoluble, nephrotropic, high osmolar X-ray contrast media
     V08AA03 Iodamide
      D01376  Iodamide (JAN/USAN/INN)
Other DBs
CAS: 440-58-4
PubChem: 7848439
ChEBI: 31703
LigandBox: D01376
NIKKAJI: J5.741J
LinkDB
KCF data

ATOM        21
            1   C8y C    29.2798  -16.9731
            2   C8y C    29.2798  -18.3732
            3   C8y C    28.0643  -19.0733
            4   C8y C    26.8560  -18.3732
            5   C8y C    26.8560  -16.9731
            6   C8y C    28.0643  -16.2730
            7   X   I    28.0625  -20.4734
            8   X   I    25.6429  -16.2741
            9   X   I    30.4919  -16.2725
            10  C6a C    28.0625  -14.8729
            11  O6a O    26.8490  -14.1744
            12  O6a O    29.2742  -14.1714
            13  C1b C    25.6429  -19.0724
            14  N1b N    24.4308  -18.3715
            15  C5a C    23.2177  -19.0706
            16  C1a C    22.0058  -18.3697
            17  O5a O    23.2167  -20.4707
            18  N1b N    30.4919  -19.0740
            19  C5a C    31.7048  -18.3746
            20  C1a C    32.9170  -19.0751
            21  O5a O    31.7055  -16.9745
BOND        21
            1     4   5 1
            2    10  11 2
            3     5   6 2
            4    10  12 1
            5     6   1 1
            6     4  13 1
            7    13  14 1
            8     3   7 1
            9    14  15 1
            10    1   2 2
            11   15  16 1
            12    5   8 1
            13   15  17 2
            14    2   3 1
            15    2  18 1
            16    1   9 1
            17   18  19 1
            18    3   4 2
            19   19  20 1
            20    6  10 1
            21   19  21 2

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KEGG   DRUG: Iodamide meglumine
Entry
D01979                      Drug                                   
Name
Iodamide meglumine (USAN);
Renovue-65 (TN)
Formula
C12H11I3N2O4. C7H17NO5
Exact mass
822.8960
Mol weight
823.15
Structure
Simcomp
Remark
ATC code: V08AA03
Chemical structure group: DG01174
Efficacy
Diagnostic aid (radiopaque medium)
Interaction
Structure map
map07110  Benzoic acid family
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08A X-RAY CONTRAST MEDIA, IODINATED
    V08AA Watersoluble, nephrotropic, high osmolar X-ray contrast media
     V08AA03 Iodamide
      D01979  Iodamide meglumine (USAN)
Other DBs
CAS: 18656-21-8
PubChem: 7849041
LigandBox: D01979
NIKKAJI: J231.155K
LinkDB
KCF data

ATOM        34
            1   C8y C    24.7584  -14.0930
            2   C8y C    24.7584  -15.4944
            3   C8y C    23.5439  -16.1951
            4   C8y C    22.3294  -15.4944
            5   C8y C    22.3294  -14.0930
            6   C8y C    23.5439  -13.3923
            7   X   I    23.5439  -17.5964
            8   X   I    21.1149  -13.3923
            9   X   I    25.9729  -13.3923
            10  C6a C    23.5439  -11.9910
            11  O6a O    22.3294  -11.2903
            12  O6a O    24.7584  -11.2903
            13  C1b C    21.1149  -16.1951
            14  N1b N    19.9471  -15.4944
            15  C5a C    18.7326  -16.1951
            16  C1a C    17.5181  -15.4944
            17  O5a O    18.7326  -17.5964
            18  N1b N    25.9729  -16.1951
            19  C5a C    27.1875  -15.4944
            20  C1a C    28.4020  -16.1951
            21  O5a O    27.1875  -14.0930
            22  C1a C    30.3100  -13.9533
            23  N1b N    31.5224  -13.2533
            24  C1b C    32.7349  -13.9533
            25  C1c C    33.9473  -13.2533
            26  C1c C    35.1597  -13.9533
            27  C1c C    36.3722  -13.2533
            28  C1c C    37.5846  -13.9533
            29  C1b C    38.7970  -13.2533
            30  O1a O    40.0095  -13.9533
            31  O1a O    33.9500  -11.8533
            32  O1a O    35.1633  -15.3533
            33  O1a O    36.3767  -11.8533
            34  O1a O    37.5900  -15.3533
BOND        33
            1     4   5 1
            2    10  11 2
            3     5   6 2
            4    10  12 1
            5     6   1 1
            6     4  13 1
            7    13  14 1
            8     3   7 1
            9    14  15 1
            10    1   2 2
            11   15  16 1
            12    5   8 1
            13   15  17 2
            14    2   3 1
            15    2  18 1
            16    1   9 1
            17   18  19 1
            18    3   4 2
            19   19  20 1
            20    6  10 1
            21   19  21 2
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   25  31 1 #Down
            31   26  32 1 #Down
            32   27  33 1 #Down
            33   28  34 1 #Up

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KEGG   DRUG: Meglumine sodium iodamide
Entry
D02036                      Drug                                   
Name
Meglumine sodium iodamide
Formula
C12H11I3N2O4. C7H17NO5. C12H10I3N2O4. Na
Exact mass
1472.6632
Mol weight
1473.07
Structure
Simcomp
Remark
ATC code: V08AA03
Chemical structure group: DG01174
Efficacy
Diagnostic aid
Interaction
Structure map
map07110  Benzoic acid family
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08A X-RAY CONTRAST MEDIA, IODINATED
    V08AA Watersoluble, nephrotropic, high osmolar X-ray contrast media
     V08AA03 Iodamide
      D02036  Meglumine sodium iodamide
Other DBs
CAS: 58001-89-1
PubChem: 7849098
LigandBox: D02036
LinkDB
KCF data

ATOM        56
            1   C8y C    39.4046   -8.6330
            2   C8y C    39.4046  -10.0344
            3   C8y C    38.1901  -10.7351
            4   C8y C    36.9756  -10.0344
            5   C8y C    36.9756   -8.6330
            6   C8y C    38.1901   -7.9323
            7   X   I    38.1901  -12.1364
            8   X   I    35.7611   -7.9323
            9   X   I    40.6191   -7.9323
            10  C6a C    38.1901   -6.5310
            11  O6a O    36.9756   -5.8303
            12  O6a O    39.4046   -5.8303
            13  C1b C    35.7611  -10.7351
            14  N1b N    34.5933  -10.0344
            15  C5a C    33.3787  -10.7351
            16  C1a C    32.1642  -10.0344
            17  O5a O    33.3787  -12.1364
            18  N1b N    40.6191  -10.7351
            19  C5a C    41.8336  -10.0344
            20  C1a C    43.0481  -10.7351
            21  O5a O    41.8336   -8.6330
            22  C1a C    32.9922  -15.2130
            23  N1b N    34.2051  -14.5132
            24  C1b C    35.4180  -15.2130
            25  C1c C    36.6308  -14.5132
            26  C1c C    37.8437  -15.2130
            27  C1c C    39.0566  -14.5132
            28  C1c C    40.2695  -15.2130
            29  C1b C    41.4824  -14.5132
            30  O1a O    42.6953  -15.2130
            31  O1a O    36.6308  -13.1138
            32  O1a O    37.8437  -16.6125
            33  O1a O    39.0566  -13.1138
            34  O1a O    40.2695  -16.6125
            35  C8y C    24.7351  -10.3597
            36  C8y C    24.7351  -11.7610
            37  C8y C    23.5206  -12.4617
            38  C8y C    22.3061  -11.7610
            39  C8y C    22.3061  -10.3597
            40  C8y C    23.5206   -9.6590
            41  X   I    23.5206  -13.8631
            42  X   I    21.0916   -9.6590
            43  X   I    25.9496   -9.6590
            44  C6a C    23.5206   -8.2576
            45  O6a O    22.3061   -7.5570
            46  O6a O    24.7351   -7.5570 #-
            47  C1b C    21.0916  -12.4617
            48  N1b N    19.9238  -11.7610
            49  C5a C    18.7092  -12.4617
            50  C1a C    17.4947  -11.7610
            51  O5a O    18.7092  -13.8631
            52  N1b N    25.9496  -12.4617
            53  C5a C    27.1641  -11.7610
            54  C1a C    28.3786  -12.4617
            55  O5a O    27.1641  -10.3597
            56  Z   Na   26.2033   -7.6533 #+
BOND        54
            1     4   5 1
            2    10  11 2
            3     5   6 2
            4    10  12 1
            5     6   1 1
            6     4  13 1
            7    13  14 1
            8     3   7 1
            9    14  15 1
            10    1   2 2
            11   15  16 1
            12    5   8 1
            13   15  17 2
            14    2   3 1
            15    2  18 1
            16    1   9 1
            17   18  19 1
            18    3   4 2
            19   19  20 1
            20    6  10 1
            21   19  21 2
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   25  31 1 #Down
            31   26  32 1 #Down
            32   27  33 1 #Down
            33   28  34 1 #Up
            34   38  39 1
            35   44  45 2
            36   39  40 2
            37   44  46 1
            38   40  35 1
            39   38  47 1
            40   47  48 1
            41   37  41 1
            42   48  49 1
            43   35  36 2
            44   49  50 1
            45   39  42 1
            46   49  51 2
            47   36  37 1
            48   36  52 1
            49   35  43 1
            50   52  53 1
            51   37  38 2
            52   53  54 1
            53   40  44 1
            54   53  55 2
BRACKET     1    30.5200  -17.2200   30.5200   -5.1100
            1    44.5200   -5.1100   44.5200  -17.2200
            1  1 #GEN

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