KEGG   DRUG: Iothalamate meglumine
Entry
D01999                      Drug                                   
Name
Iothalamate meglumine (USP);
Meglumine iotalamate (JP18);
Conray (TN)
Product
CONRAY (Liebel-Flarsheim Company LLC), CYSTO-CONRAY II (Liebel-Flarsheim Company LLC)
Formula
C11H9I3N2O4. C7H17NO5
Exact mass
808.8803
Mol weight
809.13
Structure
Simcomp
Remark
ATC code: V08AA04
Chemical structure group: DG01175
Product (DG01175): D01999<US> D04595<US>
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
    V08AA Watersoluble, nephrotropic, high osmolar X-ray contrast media
     V08AA04 Iotalamic acid
      D01999  Iothalamate meglumine (USP) <US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01999  Meglumine iotalamate injection
Other DBs
CAS: 13087-53-1
PubChem: 7849061
ChEBI: 31714
LigandBox: D01999
NIKKAJI: J320.997K
LinkDB
KCF data

ATOM        33
            1   C8y C    11.9105  -16.2943
            2   C8y C    11.9105  -17.6937
            3   C8y C    13.1233  -18.3935
            4   C8y C    14.3362  -17.6937
            5   C8y C    14.3362  -16.2943
            6   C8y C    13.1233  -15.5946
            7   C6a C    13.1233  -14.1951
            8   O6a O    14.3362  -13.5421
            9   O6a O    11.9105  -13.4954
            10  X   I    10.6976  -15.5946
            11  X   I    15.5491  -15.6413
            12  X   I    13.1233  -19.8396
            13  N1b N    15.5491  -18.3935
            14  C5a C    16.7619  -17.6937
            15  C1a C    17.9748  -18.3935
            16  O5a O    16.7619  -16.2943
            17  C5a C    10.6988  -18.3937
            18  N1b N     9.5005  -17.7022
            19  C1a C     8.2799  -18.4074
            20  O5a O    10.6990  -19.8045
            21  C1a C    22.3268  -16.9571
            22  N1b N    23.5405  -16.2569
            23  C1b C    24.7543  -16.9571
            24  C1c C    25.9680  -16.2569
            25  C1c C    27.1818  -16.9571
            26  C1c C    28.3956  -16.2569
            27  C1c C    29.6093  -16.9104
            28  C1b C    30.7764  -16.2102
            29  O1a O    31.9901  -16.9104
            30  O1a O    25.9680  -14.8564
            31  O1a O    27.1818  -18.3576
            32  O1a O    28.3956  -14.8098
            33  O1a O    29.6093  -18.3110
BOND        32
            1    13  14 1
            2     2   3 1
            3    14  15 1
            4     7   9 2
            5    14  16 2
            6     3   4 2
            7     1  10 1
            8     4   5 1
            9     5  11 1
            10    5   6 2
            11    3  12 1
            12    6   1 1
            13    4  13 1
            14    6   7 1
            15    1   2 2
            16    7   8 1
            17    2  17 1
            18   17  18 1
            19   18  19 1
            20   17  20 2
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   24  30 1 #Down
            30   25  31 1 #Down
            31   26  32 1 #Down
            32   27  33 1 #Up

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