KEGG   DRUG: Gadodiamide
Entry
D04284                      Drug                                   

Name
Gadodiamide (USP/INN);
Omniscan (TN)
Formula
C16H26N5O8. Gd
Exact mass
574.1022
Mol weight
573.6563
Structure
Simcomp
Remark
ATC code: V08CA03
Chemical structure group: DG01184
Product (DG01184): D01645<JP/US>
Efficacy
Diagnostic aid (paramagnetic, brain disorders, spine disorders)
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
      D04284  Gadodiamide (USP/INN)
Other DBs
CAS: 131410-48-5
PubChem: 47206218
DrugBank: DB00225
LigandBox: D04284
LinkDB
KCF data

ATOM        30
            1   C6a C    25.7433  -17.4202
            2   O6a O    24.5308  -18.1200 #-
            3   O6a O    25.7436  -16.0301
            4   C1b C    27.1433  -17.4202
            5   O6a O    23.3351  -20.2300 #-
            6   C6a C    23.3351  -21.6300
            7   C1b C    24.0351  -22.8424
            8   C1b C    25.7600  -24.4300
            9   N1c N    26.9724  -23.7300
            10  O5a O    24.5476  -22.3300
            11  C5a C    24.5476  -23.7300
            12  C1b C    28.1849  -24.4300
            13  C1b C    29.3973  -23.7300
            14  N1c N    29.3973  -22.3300
            15  C1b C    30.6097  -21.6300
            16  C1b C    30.6097  -20.2300
            17  N1c N    29.3973  -19.5300
            18  C1b C    29.3973  -18.1300
            19  C5a C    28.1849  -17.4300
            20  O5a O    26.9724  -18.1300
            21  N1b N    28.1849  -16.0302
            22  C1a C    29.4161  -15.3192
            23  O6a O    21.9594  -21.9987
            24  N1b N    23.3352  -24.4300
            25  C1a C    22.1040  -23.7190
            26  C1b C    30.6097  -23.0300
            27  C6a C    31.8073  -22.3385
            28  O6a O    32.9956  -23.0245
            29  O6a O    31.8074  -20.9303 #-
            30  Z   Gd   26.3200  -20.9300 #3+
BOND        28
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     5   6 1
            5     6   7 1
            6     8   9 1
            7    10  11 2
            8     8  11 1
            9     9  12 1
            10   12  13 1
            11   13  14 1
            12   14  15 1
            13   15  16 1
            14   16  17 1
            15   17  18 1
            16   18  19 1
            17   19  20 2
            18   19  21 1
            19   21  22 1
            20    7   9 1
            21    6  23 2
            22   11  24 1
            23   24  25 1
            24   14  26 1
            25   26  27 1
            26   27  28 2
            27   27  29 1
            28    4  17 1

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