KEGG   DRUG: Ioxaglic acidHelp
Entry
D01761                      Drug                                   

Name
Ioxaglic acid (JAN/USP/INN);
Hexabrix 320 (TN)
Formula
C24H21I6N5O8
Exact mass
1268.5658
Mol weight
1268.8791
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Therapeutic category: 7219
ATC code: V08AB03
Chemical structure group: DG01179
Product (DG01179): D01761<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
     V08AB03 Ioxaglic acid
      D01761  Ioxaglic acid (JAN/USP/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
     D01761  Ioxaglic acid (JAN/USP/INN)
BRITE hierarchy
Other DBs
CAS: 59017-64-0
PubChem: 7848824
ChEBI: 31718
ChEMBL: CHEMBL1201291
LigandBox: D01761
NIKKAJI: J11.163E
LinkDB All DBs
KCF data Show

ATOM        43
            1   C6a C    19.4821  -14.2936
            2   O6a O    18.2700  -13.5917
            3   C8y C    19.4811  -15.6872
            4   C8y C    20.6979  -16.3875
            5   C8y C    20.6979  -17.7883
            6   C8y C    19.4819  -18.4886
            7   C8y C    18.2730  -17.7883
            8   C8y C    18.2730  -16.3875
            9   X   I    19.4802  -19.8894
            10  X   I    17.0594  -15.6882
            11  X   I    21.9107  -15.6867
            12  C5a C    17.0594  -18.4878
            13  N1b N    15.8519  -17.7813
            14  C1b C    14.6422  -18.4817
            15  O5a O    17.0548  -19.8885
            16  N1b N    21.9076  -18.4886
            17  C5a C    23.1174  -17.7954
            18  C1b C    24.3271  -18.4958
            19  O6a O    20.6959  -13.5944
            20  C1b C    13.4282  -17.7828
            21  O1a O    12.2159  -18.4846
            22  O5a O    23.1204  -16.3947
            23  N1b N    25.5409  -17.7969
            24  C5a C    26.7532  -18.4986
            25  C8y C    27.9671  -17.7998
            26  C8y C    29.1733  -18.5027
            27  C8y C    30.3871  -17.8039
            28  C8y C    30.3888  -16.4032
            29  C8y C    29.1765  -15.7013
            30  C8y C    28.0327  -16.4003
            31  N1c N    31.5994  -18.5058
            32  C1a C    31.5977  -19.9065
            33  C5a C    32.8133  -17.8068
            34  C1a C    34.0254  -18.5087
            35  O5a O    32.8149  -16.4060
            36  C5a C    29.1782  -14.3005
            37  O5a O    30.3922  -13.6017
            38  N1b N    27.9659  -13.5988
            39  C1a C    26.7521  -14.2976
            40  O5a O    26.7515  -19.8994
            41  X   I    29.1696  -19.9035
            42  X   I    31.6028  -15.7043
            43  X   I    26.7489  -15.7011
BOND        44
            1     5   6 1
            2    17  22 2
            3     4  11 1
            4    18  23 1
            5     5  16 1
            6    23  24 1
            7     6   7 2
            8    24  25 1
            9    16  17 1
            10    7  12 1
            11   17  18 1
            12    7   8 1
            13   12  13 1
            14   25  26 2
            15   26  27 1
            16   27  28 2
            17   28  29 1
            18   29  30 2
            19   30  25 1
            20    8   3 2
            21   27  31 1
            22   13  14 1
            23   31  32 1
            24    3   4 1
            25   31  33 1
            26    6   9 1
            27   33  34 1
            28    4   5 2
            29   33  35 2
            30   12  15 2
            31   29  36 1
            32    8  10 1
            33   36  37 2
            34   36  38 1
            35    1  19 1
            36   38  39 1
            37    3   1 1
            38   24  40 2
            39   14  20 1
            40   26  41 1
            41    1   2 2
            42   28  42 1
            43   20  21 1
            44   30  43 1

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