KEGG   DRUG: Gadodiamide hydrateHelp
Entry
D01645                      Drug                                   

Name
Gadodiamide hydrate (JAN);
Omniscan (TN)
Formula
C16H26N5O8. Gd. xH2O
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C13106
Therapeutic category: 7290
ATC code: V08CA03
Chemical structure group: DG01184
Product (DG01184): D04284<US> D01645<JP>
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
     V08CA03 Gadodiamide
      D01645  Gadodiamide hydrate (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  72  Intracorporeal diagnostic agents
   729  Miscellaneous
    7290  Miscellaneous
     D01645  Gadodiamide hydrate (JAN)
BRITE hierarchy
Other DBs
CAS: 122795-43-1
PubChem: 7848708
ChEBI: 31642
DrugBank: DB00225
LigandBox: D01645
LinkDB All DBs
KCF data Show

ATOM        31
            1   O6a O    13.4013  -17.0337 #-
            2   C6a C    14.0905  -18.2436
            3   C1b C    15.4839  -18.2481
            4   N1c N    16.1878  -17.0426
            5   C1b C    19.6709  -18.2647
            6   C6a C    21.0705  -18.2647
            7   O6a O    21.7740  -17.0514
            8   N1c N    18.9746  -17.0514
            9   C1a C    15.4846  -13.0300
            10  O6a O    21.7939  -14.2503 #-
            11  C6a C    21.0904  -13.0371
            12  C1b C    19.6908  -13.0371
            13  N1c N    18.9945  -14.2503
            14  C1b C    20.1912  -16.3613
            15  C1b C    20.1981  -14.9617
            16  C1b C    16.8771  -18.2525
            17  C1b C    18.2705  -18.2569
            18  C5a C    14.9719  -14.9467
            19  C1b C    14.9719  -16.3463
            20  O6a O    21.7939  -11.8240
            21  O6a O    21.7740  -19.4779 #-
            22  O6a O    13.3903  -19.4546
            23  C1b C    18.2840  -13.0297
            24  C5a C    16.8842  -13.0320
            25  O5a O    13.7590  -14.2428
            26  N1b N    16.1899  -14.2465
            27  N1b N    15.8924  -12.0379
            28  O5a O    17.8760  -12.0379
            29  C1a C    14.4928  -12.0379
            30  Z   Gd   25.1279  -15.8785 #3+
            31  O0  O    29.6223  -15.8714
BOND        28
            1     4  16 1
            2    16  17 1
            3    17   8 1
            4    26   9 1
            5    18  19 1
            6    19   4 1
            7    26  18 1
            8     2   3 1
            9     5   6 1
            10   11  20 2
            11    6   7 2
            12    6  21 1
            13    8   5 1
            14    2  22 2
            15   10  11 1
            16   11  12 1
            17   13  23 1
            18   23  24 1
            19   18  25 2
            20   12  13 1
            21    3   4 1
            22   24  27 1
            23    8  14 1
            24   24  28 2
            25   14  15 1
            26   27  29 1
            27   15  13 1
            28    1   2 1
BRACKET     1    27.7900  -17.2200   27.7900  -14.8400
            1    30.5200  -14.8400   30.5200  -17.2200
            1  x
 ORIGINAL  1   31
 REPEAT    1

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