KEGG   DRUG: IohexolHelp
Entry
D01817                      Drug                                   

Name
Iohexol (JP17/USP/INN);
Iohexol injection (JP17);
Omnipaque (TN)
Product
Formula
C19H26I3N3O9
Exact mass
820.8803
Mol weight
821.1379
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Therapeutic category: 7219
ATC code: V08AB02
Product: D01817<JP/US>
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
     V08AB02 Iohexol
      D01817  Iohexol (JP17/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 (JP17/USP/INN); Iohexol injection (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01817  Iohexol
  D01817  Iohexol injection
BRITE hierarchy
Other DBs
CAS: 66108-95-0
PubChem: 7848879
ChEBI: 31709
ChEMBL: CHEMBL1200455
LigandBox: D01817
NIKKAJI: J18.922G
LinkDB All DBs
KCF data Show

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

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