KEGG   DRUG: Diatrizoate sodium I 131
Entry
D03770                      Drug                                   
Name
Diatrizoate sodium I 131 (USAN)
Formula
C11H8I3N2O4. Na
Exact mass
647.7565
Mol weight
635.89
Structure
Simcomp
Remark
ATC code: V08AA01
Chemical structure group: DG01172
Product (DG01172): D01940<JP/US> D02015<US>
Efficacy
Diagnostic aid (contrast medium), Radioactive agent
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08A X-RAY CONTRAST MEDIA, IODINATED
    V08AA Watersoluble, nephrotropic, high osmolar X-ray contrast media
     V08AA01 Diatrizoic acid
      D03770  Diatrizoate sodium I 131 (USAN)
Other DBs
CAS: 14855-77-7
PubChem: 17397859
LigandBox: D03770
NIKKAJI: J21.202D
LinkDB
KCF data

ATOM        21
            1   C8y C    20.5913  -18.1125
            2   C8y C    20.5913  -16.7123
            3   C8y C    21.8049  -18.8126
            4   N1b N    19.3778  -18.8126
            5   C8y C    21.8049  -16.0123
            6   X   I    19.3719  -16.0064
            7   C8y C    23.0184  -18.1184
            8   X   I    21.7989  -20.2128
            9   C5a C    18.1642  -18.1242
            10  C8y C    23.0184  -16.7182
            11  C6a C    21.8049  -14.6121
            12  N1b N    24.2320  -18.8069
            13  C1a C    16.9624  -18.8185
            14  O5a O    18.1584  -16.7182
            15  X   I    24.2320  -16.0007
            16  O6a O    20.5913  -13.9120
            17  O6a O    23.0184  -13.9120 #-
            18  C5a C    25.4395  -18.1068
            19  C1a C    26.6472  -18.8009
            20  O5a O    25.4338  -16.7065
            21  Z   Na   25.1998  -13.8598 #+
BOND        20
            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    5  11 1
            11    7  12 1
            12    9  13 1
            13    9  14 2
            14   10  15 1
            15   11  16 2
            16   11  17 1
            17   12  18 1
            18   18  19 1
            19   18  20 2
            20    7  10 2

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