KEGG   DRUG: Ioxilan
Entry
D02161                      Drug                                   
Name
Ioxilan (JAN/USP/INN);
Oxilan-300 (TN)
Formula
C18H24I3N3O8
Exact mass
790.8697
Mol weight
791.1119
Structure
Simcomp
Remark
ATC code: V08AB12
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
     V08AB12 Ioxilan
      D02161  Ioxilan (JAN/USP/INN)
Other DBs
CAS: 107793-72-6
PubChem: 7849222
LigandBox: D02161
NIKKAJI: J518.532G
KCF data

ATOM        32
            1   C8y C    17.2342  -11.8026
            2   C8y C    17.2342  -13.2020
            3   C8y C    18.4462  -13.9017
            4   C8y C    19.6581  -13.2020
            5   C8y C    19.6581  -11.8026
            6   C8y C    18.4462  -11.1028
            7   X   I    20.8714  -11.1021
            8   X   I    16.0223  -11.1028
            9   X   I    18.4462  -15.3011
            10  N1c N    20.8718  -13.9017
            11  C5a C    16.0223  -13.9017
            12  N1b N    14.8103  -13.2020
            13  C1b C    13.5984  -13.9017
            14  C1c C    12.3864  -13.2020
            15  C1b C    11.1745  -13.9017
            16  O1a O     9.9625  -13.2020
            17  O5a O    16.0223  -15.3023
            18  O1a O    12.3864  -11.8034
            19  C5a C    18.4462   -9.7042
            20  N1b N    19.6603   -9.0032
            21  O5a O    17.2361   -9.0056
            22  C1b C    20.8739   -9.7042
            23  C1b C    22.0860   -9.0044
            24  O1a O    23.2980   -9.7042
            25  C5a C    22.0860  -13.1996
            26  C1a C    23.3029  -13.9011
            27  O5a O    22.0851  -11.8042
            28  C1b C    20.8727  -15.3033
            29  C1c C    22.0880  -16.0038
            30  C1b C    23.3010  -15.3025
            31  O1a O    22.0889  -17.4028
            32  O1a O    24.5149  -16.0023
BOND        32
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     1   8 1
            9     3   9 1
            10    4  10 1
            11    2  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   11  17 2
            18   14  18 1
            19    6  19 1
            20   19  20 1
            21   19  21 2
            22   20  22 1
            23   22  23 1
            24   23  24 1
            25   10  25 1
            26   25  26 1
            27   25  27 2
            28   10  28 1
            29   28  29 1
            30   29  30 1
            31   29  31 1
            32   30  32 1

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Ontology (1)   
   KEGG BRITE (1)   
Drug (2)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
All databases (5)   

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