KEGG   DRUG: Iocarmic acidHelp
Entry
D01099                      Drug                                   

Name
Iocarmic acid (JAN/USAN/INN)
Formula
C24H20I6N4O8
Exact mass
1253.5549
Mol weight
1253.8644
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: V08AA08
Chemical structure group: DG01177
Efficacy
Diagnostic aid (radiopaque 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
     V08AA08 Iocarmic acid
      D01099  Iocarmic acid (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 10397-75-8
PubChem: 7848162
ChEBI: 31702
ChEMBL: CHEMBL2106389
LigandBox: D01099
NIKKAJI: J10.471J
LinkDB All DBs
KCF data Show

ATOM        42
            1   C8y C    22.4395  -12.6945
            2   C8y C    22.4395  -14.0946
            3   C8y C    23.6550  -14.7947
            4   C8y C    24.8634  -14.0946
            5   C8y C    24.8634  -12.6945
            6   C8y C    23.6550  -11.9944
            7   C6a C    23.6567  -10.5943
            8   O6a O    24.8701   -9.8956
            9   O6a O    22.4451   -9.8926
            10  X   I    21.2272  -11.9937
            11  X   I    26.0765  -11.9953
            12  X   I    23.6567  -16.1948
            13  N1b N    26.0765  -14.7938
            14  C5a C    21.2272  -14.7954
            15  N1b N    20.0145  -14.0958
            16  O5a O    21.2281  -16.1955
            17  C5a C    27.2884  -14.0928
            18  C1b C    28.5015  -14.7920
            19  O5a O    27.2874  -12.6926
            20  C1b C    29.7136  -14.0911
            21  C1b C    30.9267  -14.7901
            22  C1b C    32.1386  -14.0892
            23  C5a C    33.3517  -14.7884
            24  N1b N    34.5638  -14.0873
            25  O5a O    33.3528  -16.1885
            26  C8y C    35.7768  -14.7865
            27  C8y C    35.7771  -16.1801
            28  C8y C    36.9902  -16.8793
            29  C8y C    38.2022  -16.1782
            30  C8y C    38.2011  -14.7781
            31  C8y C    36.9882  -14.0790
            32  X   I    34.5649  -16.8806
            33  C6a C    36.9912  -18.2794
            34  O6a O    35.7792  -18.9803
            35  X   I    39.4153  -16.8774
            36  C5a C    39.4132  -14.0771
            37  O5a O    39.4122  -12.6770
            38  X   I    36.9840  -12.6789
            39  O6a O    38.2044  -18.9785
            40  N1b N    40.6263  -14.7764
            41  C1a C    18.8176  -14.7870
            42  C1a C    41.8211  -14.0852
BOND        43
            1    20  21 1
            2     4   5 1
            3    21  22 1
            4     5  11 1
            5    22  23 1
            6     5   6 2
            7    23  24 1
            8     3  12 1
            9    23  25 2
            10    6   1 1
            11   24  26 1
            12    4  13 1
            13    2  14 1
            14    6   7 1
            15   14  15 1
            16   26  27 2
            17   27  28 1
            18   28  29 2
            19   29  30 1
            20   30  31 2
            21   31  26 1
            22    1   2 2
            23   27  32 1
            24   14  16 2
            25   28  33 1
            26    7   8 1
            27   33  34 2
            28   13  17 1
            29   29  35 1
            30    2   3 1
            31   30  36 1
            32   17  18 1
            33   36  37 2
            34    7   9 2
            35   31  38 1
            36   17  19 2
            37   33  39 1
            38    3   4 2
            39   36  40 1
            40   18  20 1
            41    1  10 1
            42   15  41 1
            43   40  42 1

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