KEGG   DRUG: Diatrizoic acid
Entry
D02240                      Drug                                   
Name
Diatrizoic acid (USP);
Amidotrizoic acid (JP18)
Formula
C11H9I3N2O4
Exact mass
613.7696
Mol weight
613.91
Structure
Simcomp
Remark
ATC code: V08AA01
Chemical structure group: DG01172
Product (DG01172): D01940<JP/US> D02015<US>
Efficacy
Diagnostic aid (radiopaque medium)
Interaction
Structure map
map07110  Benzoic acid family
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
      D02240  Diatrizoic acid (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02240  Amidotrizoic acid
Other DBs
CAS: 117-96-4
PubChem: 7849299
ChEBI: 53691
LigandBox: D02240
NIKKAJI: J5.294I
LinkDB
KCF data

ATOM        20
            1   C8y C    16.0414  -14.2626
            2   C8y C    16.0414  -12.8624
            3   C8y C    17.2550  -14.9627
            4   N1b N    14.8279  -14.9627
            5   C8y C    17.2550  -12.1624
            6   X   I    14.8220  -12.1565
            7   C8y C    18.4685  -14.2685
            8   X   I    17.2490  -16.3629
            9   C5a C    13.6143  -14.2743
            10  C8y C    18.4685  -12.8683
            11  C6a C    17.2550  -10.7622
            12  N1b N    19.6821  -14.9570
            13  C1a C    12.4125  -14.9686
            14  O5a O    13.6085  -12.8683
            15  X   I    19.6821  -12.1508
            16  O6a O    16.0414  -10.0621
            17  O6a O    18.4685  -10.0621
            18  C5a C    20.8896  -14.2569
            19  C1a C    22.0973  -14.9510
            20  O5a O    20.8839  -12.8566
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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