KEGG   DRUG: Metrizamide
Entry
D01311                      Drug                                   
Name
Metrizamide (JAN/USAN/INN);
Amipaque (TN)
Formula
C18H22I3N3O8
Exact mass
788.8541
Mol weight
789.096
Structure
Remark
ATC code: V08AB01
Efficacy
Diagnostic aid (radiopaque medium)
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08A X-RAY CONTRAST MEDIA, IODINATED
    V08AB Watersoluble, nephrotropic, low osmolar X-ray contrast media
     V08AB01 Metrizamide
      D01311  Metrizamide (JAN/USAN/INN)
Other DBs
CAS: 31112-62-6
PubChem: 7848374
ChEBI: 31841
LigandBox: D01311
NIKKAJI: J3.488F
LinkDB
KCF data

ATOM        32
            1   C8y C    23.5286  -16.1766
            2   C8y C    23.5286  -17.5769
            3   C8y C    24.7442  -18.2770
            4   C8y C    25.9527  -17.5769
            5   C8y C    25.9527  -16.1766
            6   C8y C    24.7442  -15.4765
            7   X   I    27.1658  -15.4774
            8   X   I    24.6759  -19.6772
            9   X   I    22.3163  -15.4758
            10  N1b N    24.6759  -14.0763
            11  C5a C    25.9594  -13.3777
            12  O5a O    25.9613  -11.9775
            13  C1a C    27.1713  -14.0793
            14  N1c N    27.1658  -18.2760
            15  C1a C    27.1669  -19.6762
            16  C5a C    28.3779  -17.5750
            17  C1a C    29.5910  -18.2743
            18  O5a O    28.3768  -16.1748
            19  C5a C    22.3163  -18.2775
            20  N1b N    21.1034  -17.5781
            21  O5a O    22.3171  -19.6777
            22  C1y C    19.8911  -18.2788
            23  C1y C    18.6823  -17.5760
            24  O2x O    17.4701  -18.2768
            25  C1y C    17.4708  -19.6770
            26  C1y C    18.6838  -20.3765
            27  C1y C    19.8960  -19.6759
            28  C1b C    16.2585  -20.3778
            29  O1a O    16.2593  -21.7781
            30  O1a O    18.6845  -21.7767
            31  O1a O    21.1101  -20.3734
            32  O1a O    18.6840  -16.1760
BOND        33
            1    14  16 1
            2     3   8 1
            3    16  17 1
            4     2   3 1
            5    16  18 2
            6     1   9 1
            7     2  19 1
            8     3   4 2
            9    19  20 1
            10    6  10 1
            11   19  21 2
            12    4   5 1
            13   22  20 1 #Down
            14   10  11 1
            15    5   6 2
            16   11  12 2
            17    6   1 1
            18   11  13 1
            19   22  23 1
            20   23  24 1
            21   24  25 1
            22   25  26 1
            23   26  27 1
            24   27  22 1
            25   25  28 1 #Up
            26    4  14 1
            27   28  29 1
            28    5   7 1
            29   26  30 1 #Down
            30   14  15 1
            31   27  31 1 #Up
            32    1   2 2
            33   23  32 1 #Either

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