Iohexol


Entry
D01817                      Drug                                   
Name
Iohexol (JP18/USP/INN);
Omnipaque (TN)
Product
OMNIPAQUE (GE Healthcare), OMNIPAQUE (GE Healthcare), OMNIPAQUE (GE Healthcare), OMNIPAQUE (GE Healthcare), OMNIPAQUE (GE Healthcare), OMNIPAQUE (GE Healthcare)
Formula
C19H26I3N3O9
Exact mass
820.8803
Mol weight
821.1379
Structure
Simcomp
Remark
Therapeutic category: 7219
ATC code: V08AB02
Product: D01817<JP/US>
Efficacy
Diagnostic aid (radiopaque medium)
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
     V08AB02 Iohexol
      D01817  Iohexol (JP18/USP/INN) <JP/US>
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
     D01817  Iohexol (JP18/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01817  Iohexol
  D01817  Iohexol injection
Other DBs
CAS: 66108-95-0
PubChem: 7848879
ChEBI: 31709
LigandBox: D01817
NIKKAJI: J18.922G
KCF data

ATOM        34
            1   C5a C    18.4111  -10.4069
            2   N1b N    19.6251   -9.7080
            3   O5a O    17.1989   -9.7049
            4   C8y C    18.4100  -11.8006
            5   C8y C    19.6270  -12.5010
            6   C8y C    19.6270  -13.9019
            7   C8y C    18.4109  -14.6023
            8   C8y C    17.2019  -13.9019
            9   C8y C    17.2019  -12.5010
            10  X   I    18.4092  -16.0032
            11  X   I    15.9882  -11.8016
            12  X   I    20.8399  -11.8001
            13  C5a C    15.9882  -14.6015
            14  N1b N    14.7805  -13.8949
            15  C1b C    13.5707  -14.5954
            16  C1c C    12.3609  -13.8949
            17  O5a O    15.9836  -16.0023
            18  O1a O    12.3609  -12.4941
            19  N1c N    20.8368  -14.6023
            20  C5a C    22.0467  -13.9090
            21  C1a C    23.2565  -14.6095
            22  C1b C    11.1473  -14.5947
            23  O1a O     9.9346  -13.8936
            24  O5a O    22.0499  -12.5082
            25  C1b C    20.8338  -16.0032
            26  C1c C    22.0453  -16.7062
            27  O1a O    22.0423  -18.1070
            28  C1b C    23.2601  -16.0085
            29  O1a O    24.4718  -16.7116
            30  C1b C    20.8373  -10.4100
            31  C1c C    22.0514   -9.7110
            32  C1b C    23.2638  -10.4130
            33  O1a O    22.0533   -8.3102
            34  O1a O    24.4779   -9.7141
BOND        34
            1    14  15 1
            2     4   5 1
            3    15  16 1
            4     7  10 1
            5     5   6 2
            6    13  17 2
            7     9  11 1
            8    16  22 1
            9    22  23 1
            10   20  24 2
            11    4   1 1
            12    1   2 1
            13    1   3 2
            14    6   7 1
            15   16  18 1
            16   19  25 1
            17    5  12 1
            18   25  26 1
            19    6  19 1
            20   26  27 1
            21    7   8 2
            22   26  28 1
            23   19  20 1
            24   28  29 1
            25    8  13 1
            26    2  30 1
            27   20  21 1
            28   30  31 1
            29    8   9 1
            30   31  32 1
            31   13  14 1
            32   31  33 1
            33    9   4 2
            34   32  34 1