KEGG   DRUG: Ioxitalamic acidHelp
Entry
D07418                      Drug                                   

Name
Ioxitalamic acid (INN)
Formula
C12H11I3N2O5
Exact mass
643.7802
Mol weight
643.9396
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: V08AA05
Chemical structure group: DG01176
Efficacy
Diagnostic aid (contrast 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
     V08AA05 Ioxitalamic acid
      D07418  Ioxitalamic acid (INN)
BRITE hierarchy
Other DBs
CAS: 28179-44-4
PubChem: 51091753
ChEBI: 83517
ChEMBL: CHEMBL2107239
LigandBox: D07418
NIKKAJI: J21.640B
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8y C    29.3300  -18.0600
            2   C8y C    29.3300  -19.4600
            3   C8y C    28.1400  -20.1600
            4   C8y C    26.9500  -19.4600
            5   C8y C    26.9500  -18.0600
            6   C8y C    28.1400  -17.3600
            7   C5a C    25.6900  -20.1600
            8   N1b N    24.5000  -19.4600
            9   C1b C    23.3100  -20.1600
            10  C1b C    22.0500  -19.4600
            11  O1a O    20.8600  -20.1600
            12  N1b N    30.5900  -20.1600
            13  C5a C    31.7800  -19.4600
            14  C1a C    32.9700  -20.1600
            15  X   I    30.5900  -17.3600
            16  X   I    25.6900  -17.3600
            17  X   I    28.1400  -21.5600
            18  C6a C    28.1400  -15.9600
            19  O6a O    29.4000  -15.2600
            20  O6a O    26.9500  -15.2600
            21  O5a O    31.7800  -18.0600
            22  O5a O    25.6900  -21.5600
BOND        22
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    2  12 1
            13   12  13 1
            14   13  14 1
            15    1  15 1
            16    5  16 1
            17    3  17 1
            18    6  18 1
            19   18  19 1
            20   18  20 2
            21   13  21 2
            22    7  22 2

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