KEGG   DRUG: Gadobenic acid
Entry
D08018                      Drug                                   
Name
Gadobenic acid (INN);
Multihance (TN)
Formula
C22H26N3O11. 2H. Gd
Exact mass
668.0965
Mol weight
667.7212
Structure
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
      D08018  Gadobenic acid (INN)
Other DBs
CAS: 113662-23-0
PubChem: 96024711
LigandBox: D08018
KCF data

ATOM        37
            1   Z   Gd   23.0300  -18.9700 #3+
            2   O6a O    23.2400  -16.4500 #-
            3   C6a C    22.4700  -15.4700
            4   O6a O    21.2100  -16.1700 #-
            5   O6a O    22.4700  -14.0700
            6   C1b C    23.8700  -15.4700
            7   O6a O    20.0200  -18.2700 #-
            8   C6a C    20.0200  -19.6700
            9   C1b C    20.7200  -20.8600
            10  C1b C    22.4700  -22.4700
            11  N1c N    23.6600  -21.7700
            12  C1b C    24.9200  -22.4700
            13  C1b C    26.1100  -21.7700
            14  N1c N    26.1100  -20.3700
            15  C1b C    27.3000  -19.6700
            16  C1b C    27.3000  -18.2700
            17  N1c N    26.1100  -17.5700
            18  C1c C    26.1100  -16.1700
            19  O6a O    18.6900  -20.0200
            20  C1b C    27.3000  -21.0700
            21  C6a C    28.4900  -20.3700
            22  O6a O    29.6800  -21.0700
            23  O6a O    28.4900  -18.9700 #-
            24  C6a C    21.2519  -21.7799
            25  O6a O    21.2800  -20.2300 #-
            26  O6a O    20.0609  -22.4583
            27  C6a C    25.1201  -15.1801
            28  O6a O    25.1118  -13.7953
            29  C1b C    27.2634  -15.4942
            30  O2a O    28.4814  -16.3214
            31  C1b C    29.6938  -15.6214
            32  C8y C    30.9062  -16.3214
            33  C8x C    30.9065  -17.7096
            34  C8x C    32.1191  -18.4094
            35  C8x C    33.3314  -17.7091
            36  C8x C    33.3311  -16.3209
            37  C8x C    32.1185  -15.6212
BOND        36
            1     3   4 1
            2     3   5 2
            3     3   6 1
            4     7   8 1
            5     8   9 1
            6    10  11 1
            7    11  12 1
            8    12  13 1
            9    13  14 1
            10   14  15 1
            11   15  16 1
            12   16  17 1
            13   17  18 1
            14    9  11 1
            15    8  19 2
            16   14  20 1
            17   20  21 1
            18   21  22 2
            19   21  23 1
            20    6  17 1
            21   10  24 1
            22   24  25 1
            23   24  26 2
            24   18  27 1
            25    2  27 1
            26   27  28 2
            27   18  29 1
            28   29  30 1
            29   30  31 1
            30   31  32 1
            31   32  33 2
            32   33  34 1
            33   34  35 2
            34   35  36 1
            35   36  37 2
            36   32  37 1
BRACKET     1    26.2500  -25.6200   26.2500  -24.2900
            1    27.9300  -24.2900   27.9300  -25.6200
            1  2
 ORIGINAL  1   38
 REPEAT    1   39

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Drug (3)   
   KEGG DGROUP (1)   
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Chemical substance (1)   
   PubChem (1)   
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