KEGG   COMPOUND: C14165Help
Entry
C14165                      Compound                               

Name
Metrizoic acid
Formula
C12H11I3N2O4
Exact mass
627.7853
Mol weight
627.9402
Structure
Mol fileKCF fileDB search
Remark
ATC code: V08AA02
Drug group: DG01173
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
     V08AA02 Metrizoic acid
      C14165  Metrizoic acid
BRITE hierarchy
Other DBs
CAS: 1949-45-7
PubChem: 7846977
ChEBI: 34847
ChEMBL: CHEMBL1736
NIKKAJI: J7.828J
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8y C    21.7165  -17.9130
            2   C8y C    21.7165  -16.5136
            3   C8y C    22.9295  -18.6128
            4   N1c N    20.5037  -18.6128
            5   C8y C    22.9295  -15.8138
            6   X   I    20.5037  -15.8138
            7   C8y C    24.1423  -17.9130
            8   X   I    22.9295  -20.0123
            9   C5a C    19.2908  -17.9130
            10  C8y C    24.1423  -16.5136
            11  C6a C    22.9295  -14.4143
            12  N1b N    25.3552  -18.6128
            13  C1a C    18.0779  -18.6128
            14  O5a O    19.2908  -16.5136
            15  X   I    25.3552  -15.8138
            16  O6a O    21.7165  -13.7146
            17  O6a O    24.1423  -13.7146
            18  C5a C    26.5681  -17.9130
            19  C1a C    27.7810  -18.6128
            20  O5a O    26.5681  -16.5136
            21  C1a C    20.5037  -20.0123
BOND        21
            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
            21    4  21 1

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