KEGG   DRUG: IopentolHelp
Entry
D04582                      Drug                                   

Name
Iopentol (USAN/INN)
Formula
C20H28I3N3O9
Exact mass
834.896
Mol weight
835.1644
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: V08AB08
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
     V08AB08 Iopentol
      D04582  Iopentol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 89797-00-2
PubChem: 47206426
ChEMBL: CHEMBL2104783
LigandBox: D04582
NIKKAJI: J25.830J
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8y C    18.8365  -17.7171
            2   C8y C    18.8365  -16.3165
            3   C8y C    20.0269  -18.4173
            4   C5a C    17.5759  -18.4173
            5   C8y C    20.0269  -15.6162
            6   X   I    17.5759  -15.6162
            7   C8y C    21.2174  -17.7171
            8   X   I    20.0269  -19.8179
            9   N1b N    16.3855  -17.7171
            10  C8y C    21.2174  -16.3165
            11  C5a C    22.4779  -18.4173
            12  C1b C    15.1950  -18.4173
            13  X   I    22.4779  -15.6162
            14  N1b N    23.6684  -17.7171
            15  C1b C    24.8589  -18.4173
            16  C1c C    26.0494  -17.7171
            17  C1b C    27.3099  -18.4173
            18  O1a O    28.5004  -17.7171
            19  C1c C    14.0045  -17.7171
            20  C1b C    12.8140  -18.4173
            21  O1a O    11.6235  -17.7171
            22  N1c N    20.0270  -14.2100
            23  C1b C    21.2342  -13.5130
            24  C5a C    18.8093  -13.5070
            25  C1a C    17.6112  -14.1988
            26  O5a O    18.8093  -12.1102
            27  C1c C    21.2343  -12.1102
            28  C1b C    22.4285  -11.4207
            29  O1a O    20.0037  -11.3994
            30  O2a O    23.6149  -12.1057
            31  C1a C    24.8067  -11.4175
            32  O5a O    17.5588  -19.8100
            33  O5a O    22.4950  -19.8098
            34  O1a O    14.0045  -16.3100
            35  O1a O    26.0321  -16.3100
BOND        35
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   14  15 1
            15    7  10 2
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   12  19 1
            20   19  20 1
            21   20  21 1
            22    5  22 1
            23   22  23 1
            24   22  24 1
            25   24  25 1
            26   24  26 2
            27   23  27 1
            28   27  28 1
            29   27  29 1
            30   28  30 1
            31   30  31 1
            32    4  32 2
            33   11  33 2
            34   19  34 1
            35   16  35 1

» Japanese version   » Back

DBGET integrated database retrieval system