KEGG   DRUG: Iobitridol
Entry
D01181                      Drug                                   
Name
Iobitridol (JAN/INN)
Formula
C20H28I3N3O9
Exact mass
834.896
Mol weight
835.1644
Structure
Simcomp
Remark
ATC code: V08AB11
Efficacy
Diagnostic aid (contrast 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
     V08AB11 Iobitridol
      D01181  Iobitridol (JAN/INN)
Other DBs
CAS: 136949-58-1
PubChem: 7848244
ChEBI: 31701
LigandBox: D01181
NIKKAJI: J550.711A
KCF data

ATOM        35
            1   C5a C    24.6571  -15.0896
            2   N1c N    25.8720  -14.3903
            3   O5a O    23.4442  -14.3872
            4   C1b C    27.0775  -15.0896
            5   C1c C    28.2881  -14.3887
            6   C1b C    29.4987  -15.0896
            7   O1a O    30.7093  -14.3887
            8   C1a C    25.8744  -12.9885
            9   O1a O    28.2881  -12.9870
            10  C8y C    24.6561  -16.4842
            11  C8y C    25.8738  -17.1851
            12  C8y C    25.8738  -18.5868
            13  C8y C    24.6570  -19.2877
            14  C8y C    23.4472  -18.5868
            15  C8y C    23.4472  -17.1851
            16  X   I    24.6553  -20.6894
            17  X   I    22.2327  -16.4852
            18  X   I    27.0875  -16.4837
            19  C5a C    22.2327  -19.2868
            20  N1c N    21.0243  -18.5799
            21  C1b C    19.8137  -19.2807
            22  C1c C    18.6031  -18.5799
            23  C1b C    17.3925  -19.2807
            24  O1a O    16.1819  -18.5799
            25  O5a O    22.2281  -20.6886
            26  C1a C    21.0276  -17.1781
            27  O1a O    18.6031  -17.1781
            28  N1b N    27.0844  -19.2877
            29  C5a C    28.2950  -18.5940
            30  C1c C    29.5056  -19.2948
            31  C1b C    30.7162  -18.6011
            32  O1a O    31.9268  -19.3020
            33  O5a O    28.2981  -17.1922
            34  C1b C    29.5726  -20.6966
            35  O1a O    30.7150  -21.4002
BOND        35
            1     5   6 1
            2     6   7 1
            3     2   8 1
            4     5   9 1
            5    10   1 1
            6     1   2 1
            7     1   3 2
            8     2   4 1
            9     4   5 1
            10   12  13 1
            11   22  27 1
            12   11  18 1
            13   12  28 1
            14   13  14 2
            15   28  29 1
            16   14  19 1
            17   29  30 1
            18   14  15 1
            19   30  31 1
            20   19  20 1
            21   31  32 1
            22   15  10 2
            23   29  33 2
            24   20  21 1
            25   30  34 1
            26   10  11 1
            27   34  35 1
            28   21  22 1
            29   22  23 1
            30   13  16 1
            31   23  24 1
            32   11  12 2
            33   19  25 2
            34   15  17 1
            35   20  26 1

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Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (5)   

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