KEGG   COMPOUND: C14164Help
Entry
C14164                      Compound                               

Name
Acetrizoic acid
Formula
C9H6I3NO3
Exact mass
556.7482
Mol weight
556.8623
Structure
Mol fileKCF fileDB search
Remark
Same as: D02457
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
     V08AA07 Acetrizoic acid
      D02457  Acetrizoic acid
BRITE hierarchy
Other DBs
CAS: 85-36-9
PubChem: 7846976
ChEBI: 34521
ChEMBL: CHEMBL1201327
NIKKAJI: J4.917D
KCF data Show

ATOM        16
            1   C8x C    19.6863  -17.2128
            2   C8y C    19.6863  -15.8134
            3   C8y C    20.8992  -17.9125
            4   C8y C    20.8992  -15.1136
            5   X   I    18.4735  -15.1136
            6   C8y C    22.1121  -17.2128
            7   X   I    20.8992  -19.3120
            8   C8y C    22.1121  -15.8134
            9   C6a C    20.8992  -13.7142
            10  N1b N    23.3249  -17.9125
            11  X   I    23.3249  -15.1136
            12  O6a O    19.6863  -13.0144
            13  O6a O    22.1121  -13.0144
            14  C5a C    24.5378  -17.2128
            15  C1a C    25.7507  -17.9125
            16  O5a O    24.5378  -15.8134
BOND        16
            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

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