KEGG   DRUG: Gadopentetate dimeglumineHelp
Entry
D01707                      Drug                                   

Name
Gadopentetate dimeglumine (JAN/USP);
Magnevist (TN)
Product
  Generic
Formula
C14H20N3O10. (C7H17NO5)2. Gd
Exact mass
938.2603
Mol weight
937.9999
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Therapeutic category: 7290
ATC code: V08CA01
Chemical structure group: DG01182
Product (DG01182): D01707<JP/US>
Efficacy
Diagnostic aid (contrast medium)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V08 CONTRAST MEDIA
   V08C MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
    V08CA Paramagnetic contrast media
     V08CA01 Gadopentetic acid
      D01707  Gadopentetate dimeglumine (JAN/USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  72  Intracorporeal diagnostic agents
   729  Miscellaneous
    7290  Miscellaneous
     D01707  Gadopentetate dimeglumine (JAN/USP)
BRITE hierarchy
Other DBs
CAS: 86050-77-3
PubChem: 7848770
ChEBI: 31797
DrugBank: DB00789
LigandBox: D01707
NIKKAJI: J2.173.567A
LinkDB All DBs
KCF data Show

ATOM        54
            1   O6a O     8.6114  -16.3485
            2   C6a C     9.8224  -15.6474
            3   C1b C    11.0333  -16.3414
            4   N1c N    12.2443  -15.6403
            5   C1b C    13.4553  -16.3342
            6   C1b C    14.6662  -15.6331
            7   N1c N    15.8772  -16.3272
            8   C1b C    17.0881  -15.6262
            9   C1b C    18.2991  -16.3201
            10  N1c N    19.5101  -15.6190
            11  C1b C    20.7210  -16.3130
            12  C6a C    21.9320  -15.6119
            13  O6a O    23.1429  -16.3060
            14  O6a O     9.8193  -14.2452
            15  O6a O    21.9289  -14.2097
            16  C1b C    15.8802  -17.7294
            17  C6a C    14.6674  -18.4330
            18  O6a O    14.6706  -19.8352 #-
            19  O6a O    13.4517  -17.7347
            20  C1b C    12.2412  -14.2381
            21  C6a C    13.4541  -13.5343
            22  O6a O    13.4508  -12.1321 #-
            23  O6a O    14.6698  -14.2328
            24  C1b C    19.5070  -14.2169
            25  C6a C    18.2911  -13.5185
            26  O6a O    18.2881  -12.1163 #-
            27  O6a O    17.0785  -14.2221
            28  Z   Gd   15.5283  -12.3999 #3+
            29  C1a C    28.4461  -15.0902
            30  N1b N    29.6578  -14.3887
            31  C1b C    30.8696  -15.0831
            32  C1c C    32.0814  -14.3815
            33  C1c C    33.2932  -15.0761
            34  C1c C    34.5050  -14.3745
            35  C1c C    35.7168  -15.0690
            36  C1b C    36.9285  -14.3674
            37  O1a O    38.1403  -15.0618
            38  O1a O    32.0783  -12.9784
            39  O1a O    33.2963  -16.4792
            40  O1a O    34.5019  -12.9714
            41  O1a O    35.7198  -16.4721
            42  C1a C    28.4461  -15.0902
            43  N1b N    29.6578  -14.3887
            44  C1b C    30.8696  -15.0831
            45  C1c C    32.0814  -14.3815
            46  C1c C    33.2932  -15.0761
            47  C1c C    34.5050  -14.3745
            48  C1c C    35.7168  -15.0690
            49  C1b C    36.9285  -14.3674
            50  O1a O    38.1403  -15.0618
            51  O1a O    35.7198  -16.4721
            52  O1a O    34.5019  -12.9714
            53  O1a O    33.2963  -16.4792
            54  O1a O    32.0783  -12.9784
BOND        50
            1    10  24 1
            2    10  11 1
            3    24  25 1
            4    25  26 1
            5    11  12 1
            6    25  27 2
            7     4   5 1
            8    12  13 1
            9     2  14 2
            10    5   6 1
            11   12  15 2
            12    1   2 1
            13    7  16 1
            14    6   7 1
            15   16  17 1
            16   17  18 1
            17    7   8 1
            18   17  19 2
            19    2   3 1
            20    4  20 1
            21    8   9 1
            22   20  21 1
            23   21  22 1
            24    9  10 1
            25   21  23 2
            26    3   4 1
            27   29  30 1
            28   30  31 1
            29   31  32 1
            30   32  33 1
            31   33  34 1
            32   34  35 1
            33   35  36 1
            34   36  37 1
            35   32  38 1 #Down
            36   33  39 1 #Down
            37   34  40 1 #Down
            38   35  41 1 #Up
            39   42  43 1
            40   43  44 1
            41   44  45 1
            42   45  46 1
            43   46  47 1
            44   47  48 1
            45   48  49 1
            46   49  50 1
            47   45  54 1 #Down
            48   46  53 1 #Down
            49   47  52 1 #Down
            50   48  51 1 #Up
BRACKET     1    26.1100  -17.5000   26.1100  -12.1800
            1    40.0400  -12.1800   40.0400  -17.5000
            1  2
 ORIGINAL  1   29  30  31  32  33  34  35  36  37  41  40  39  38
 REPEAT    1   42  43  44  45  46  47  48  49  50  51  52  53  54

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