KEGG   DRUG: Gadobenate dimeglumineHelp
Entry
D04283                      Drug                                   

Name
Gadobenate dimeglumine (USAN);
Meglumine gadobenate (JAN);
Multihance (TN)
Product
Formula
C22H26N3O11. (C7H17NO5)2. Gd. 2H
Exact mass
1058.3178
Mol weight
1058.1484
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: V08CA08
Chemical structure group: DG01186
Product (DG01186): D04283<US>
Efficacy
Diagnostic aid (paramagnetic)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08C MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
    V08CA Paramagnetic contrast media
     V08CA08 Gadobenic acid
      D04283  Gadobenate dimeglumine (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04283
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04283
BRITE hierarchy
Other DBs
CAS: 12700-20-8
PubChem: 47206217
DrugBank: DB00743
LigandBox: D04283
LinkDB All DBs
KCF data Show

ATOM        63
            1   C1a C    38.0800  -36.9600
            2   N1b N    39.3400  -36.2600
            3   C1b C    40.5300  -36.9600
            4   C1c C    41.7200  -36.2600
            5   C1c C    42.9800  -36.9600
            6   C1c C    44.1700  -36.2600
            7   C1c C    45.3600  -36.9600
            8   C1b C    46.6200  -36.3300
            9   O1a O    47.8100  -37.0300
            10  O1a O    41.7200  -34.8600
            11  O1a O    42.9800  -38.3600
            12  O1a O    44.1700  -34.8600
            13  O1a O    45.3600  -38.4300
            14  C6a C    21.0700  -32.5500
            15  O6a O    19.8100  -33.2500 #-
            16  O6a O    21.0700  -31.1500
            17  C1b C    22.4700  -32.5500
            18  O6a O    18.6200  -35.3500 #-
            19  C6a C    18.6200  -36.7500
            20  C1b C    19.3200  -37.9400
            21  C1b C    21.0700  -39.5500
            22  N1c N    22.2600  -38.8500
            23  O6a O    19.8800  -37.4500 #-
            24  C6a C    19.8800  -38.8500
            25  C1b C    23.5200  -39.5500
            26  C1b C    24.7100  -38.8500
            27  N1c N    24.7100  -37.4500
            28  C1b C    25.9000  -36.7500
            29  C1b C    25.9000  -35.3500
            30  N1c N    24.7100  -34.6500
            31  C1c C    24.7100  -33.2500
            32  C6a C    23.5200  -32.5500
            33  O6a O    22.2600  -33.2500 #-
            34  O6a O    17.2900  -37.1000
            35  O6a O    18.6200  -39.5500
            36  C1b C    25.9000  -38.1500
            37  C6a C    27.0900  -37.4500
            38  O6a O    28.2800  -38.1500
            39  O6a O    27.0900  -36.0500 #-
            40  O6a O    23.5200  -31.1500
            41  C1b C    25.9000  -32.5500
            42  O2a O    27.0900  -33.2500
            43  C1b C    28.3500  -32.5500
            44  C8y C    29.5400  -33.2500
            45  C8x C    29.5400  -34.6500
            46  C8x C    30.7300  -35.3500
            47  C8x C    31.9900  -34.6500
            48  C8x C    31.9900  -33.2500
            49  C8x C    30.7300  -32.5500
            50  Z   Gd   21.7000  -35.8400 #3+
            51  C1a C    38.0800  -36.9600
            52  N1b N    39.3400  -36.2600
            53  C1b C    40.5300  -36.9600
            54  C1c C    41.7200  -36.2600
            55  C1c C    42.9800  -36.9600
            56  O1a O    42.9800  -38.3600
            57  C1c C    44.1700  -36.2600
            58  C1c C    45.3600  -36.9600
            59  C1b C    46.6200  -36.3300
            60  O1a O    47.8100  -37.0300
            61  O1a O    45.3600  -38.4300
            62  O1a O    44.1700  -34.8600
            63  O1a O    41.7200  -34.8600
BOND        60
            1    14  15 1
            2    14  16 2
            3    14  17 1
            4    18  19 1
            5    19  20 1
            6    21  22 1
            7    23  24 1
            8    21  24 1
            9    22  25 1
            10   25  26 1
            11   26  27 1
            12   27  28 1
            13   28  29 1
            14   29  30 1
            15   30  31 1
            16   31  32 1
            17   32  33 1
            18   20  22 1
            19   19  34 2
            20   24  35 2
            21   27  36 1
            22   36  37 1
            23   37  38 2
            24   37  39 1
            25   17  30 1
            26   32  40 2
            27   31  41 1
            28   41  42 1
            29   42  43 1
            30   43  44 1
            31   44  45 2
            32   45  46 1
            33   46  47 2
            34   47  48 1
            35   48  49 2
            36   44  49 1
            37    6   7 1
            38    3   4 1
            39    7   8 1
            40    8   9 1
            41    4   5 1
            42    4  10 1 #Down
            43    2   3 1
            44    5  11 1 #Down
            45    5   6 1
            46    6  12 1 #Down
            47    1   2 1
            48    7  13 1 #Up
            49   57  58 1
            50   53  54 1
            51   58  59 1
            52   59  60 1
            53   54  55 1
            54   54  63 1 #Down
            55   52  53 1
            56   55  56 1 #Down
            57   55  57 1
            58   57  62 1 #Down
            59   51  52 1
            60   58  61 1 #Up
BRACKET     1    36.4000  -39.1300   36.4000  -33.8800
            1    48.7200  -33.8800   48.7200  -39.1300
            1  2
 ORIGINAL  1    1   2   3   4   5  11   6   7   8   9  13  12  10
 REPEAT    1   53  54  55  56  57  58  59  60  61  62  63  64  65

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