KEGG   DRUG: Ioglicic acidHelp
Entry
D04574                      Drug                                   

Name
Ioglicic acid (USAN/INN)
Formula
C13H12I3N3O5
Exact mass
670.7911
Mol weight
670.9649
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: V08AA06
Efficacy
Diagnostic aid (radiopaque medium)
Interaction
Drug 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
     V08AA06 Ioglicic acid
      D04574  Ioglicic acid (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 49755-67-1
PubChem: 47206418
ChEMBL: CHEMBL2105024
LigandBox: D04574
NIKKAJI: J10.373J
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    16.4374  -17.7401
            2   C8y C    16.4374  -16.3417
            3   C8y C    17.6495  -18.4394
            4   N1b N    15.2254  -18.4394
            5   C8y C    17.6495  -15.6426
            6   X   I    15.2195  -15.6367
            7   C8y C    18.8614  -17.7460
            8   X   I    17.6435  -19.8378
            9   C5a C    14.0134  -17.7518
            10  C8y C    18.8614  -16.3476
            11  C6a C    17.6495  -14.2442
            12  C5a C    20.0735  -18.4337
            13  C1a C    12.8131  -18.4452
            14  O5a O    14.0076  -16.3476
            15  X   I    20.0735  -15.6310
            16  O6a O    16.4374  -13.5449
            17  O6a O    18.8614  -13.5449
            18  N1b N    21.2795  -17.7344
            19  C1b C    22.4856  -18.4277
            20  C5a C    23.6991  -17.7238
            21  N1b N    24.9243  -18.4274
            22  C1a C    26.1433  -17.7195
            23  O5a O    20.0802  -19.8100
            24  O5a O    23.6958  -16.3104
BOND        24
            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    7  10 2
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   12  23 2
            24   20  24 2

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