KEGG   DRUG: Diatrizoate sodium I 125
Entry
D03768                      Drug                                   
Name
Diatrizoate sodium I 125 (USAN)
Formula
C11H8I3N2O4. Na
Exact mass
629.7520
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)
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
      D03768  Diatrizoate sodium I 125 (USAN)
Other DBs
PubChem: 17397857
LigandBox: D03768
LinkDB
KCF data

ATOM        21
            1   C8y C    32.7904  -19.7339
            2   C8y C    32.7904  -18.3329
            3   C8y C    34.0047  -20.4344
            4   C8y C    34.0047  -17.6325
            5   X   I    31.5703  -17.6266
            6   C8y C    35.2189  -19.7398
            7   X   I    33.9987  -21.8354
            8   C8y C    35.2189  -18.3388
            9   C6a C    34.0047  -16.2315
            10  N1b N    36.4332  -20.4287
            11  X   I    36.4332  -17.6209
            12  O6a O    32.7904  -15.5310
            13  O6a O    35.2189  -15.5310 #-
            14  C5a C    37.6414  -19.7282
            15  C1a C    38.8498  -20.4227
            16  O5a O    37.6357  -18.3271
            17  N1b N    31.5613  -20.4436
            18  C5a C    30.3722  -19.7571
            19  C1a C    29.1808  -20.4451
            20  O5a O    30.3720  -18.3400
            21  Z   Na   37.4016  -15.4787 #+
BOND        20
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     6  10 1
            10    8  11 1
            11    9  12 2
            12    9  13 1
            13   10  14 1
            14   14  15 1
            15   14  16 2
            16    6   8 2
            17    1  17 1
            18   17  18 1
            19   18  19 1
            20   18  20 2

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